4-[[4-(1-benzothiophen-4-yloxy)-3-chloranyl-phenyl]amino]-N-(2-methyl-1-methylsulfonyl-propan-2-yl)-8,9-dihydro-7H-pyrimido[4,5-b]azepine-6-carboxamide

Systemtic Name: 4-[[4-(1-benzothiophen-4-yloxy)-3-chloranyl-phenyl]amino]-N-(2-methyl-1-methylsulfonyl-propan-2-yl)-8,9-dihydro-7H-pyrimido[4,5-b]azepine-6-carboxamide Openeye Name: 4-[4-(benzothiophen-4-yloxy)-3-chloro-anilino]-N-(1,1-dimethyl-2-methylsulfonyl-ethyl)-8,9-dihydro-7H-pyrimido[4,5-b]azepine-6-carboxamide CAS Name: 4-[4-(1-benzothiophen-4-yloxy)-3-chloroanilino]-N-(2-methyl-1-methylsulfonylpropan-2-yl)-8,9-dihydro-7H-pyrimido[4,5-b]azepine-6-carboxamide IUPAC Name: 4-[4-(1-benzothiophen-4-yloxy)-3-chloroanilino]-N-(2-methyl-1-methylsulfonylpropan-2-yl)-8,9-dihydro-7H-pyrimido[4,5-b]azepine-6-carboxamide Traditional Name: 4-[4-(benzothiophen-4-yloxy)-3-chloro-anilino]-N-(2-mesyl-1,1-dimethyl-ethyl)-8,9-dihydro-7H-pyrimid[4,5-b]azepine-6-carboxamide Formula: C28H28ClN5O4S2 MolecularWeight: 598.13602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CS(=O)(=O)C)NC(=O)C1=CC2=C(NCC1)N=CN=C2NC3=CC(=C(C=C3)OC4=C5C=CSC5=CC=C4)Cl

Isomeric SMILES

CC(C)(CS(=O)(=O)C)NC(=O)C1=CC2=C(NCC1)N=CN=C2NC3=CC(=C(C=C3)OC4=C5C=CSC5=CC=C4)Cl

InChI

InChI=1S/C28H28ClN5O4S2/c1-28(2,15-40(3,36)37)34-27(35)17-9-11-30-25-20(13-17)26(32-16-31-25)33-18-7-8-23(21(29)14-18)38-22-5-4-6-24-19(22)10-12-39-24/h4-8,10,12-14,16H,9,11,15H2,1-3H3,(H,34,35)(H2,30,31,32,33)