N-(4-methylphenyl)sulfonyl-4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide

Systemtic Name: N-(4-methylphenyl)sulfonyl-4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)-N-(p-tolylsulfonyl)-1,4-diazepane-1-carboxamide CAS Name: N-(4-methylphenyl)sulfonyl-4-(5-phenyl-4-thieno[2,3-d]pyrimidinyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-(4-methylphenyl)sulfonyl-4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)-N-tosyl-1,4-diazepane-1-carboxamide Formula: C25H25N5O3S2 MolecularWeight: 507.6277

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2CCCN(CC2)C3=C4C(=CSC4=NC=N3)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2CCCN(CC2)C3=C4C(=CSC4=NC=N3)C5=CC=CC=C5

InChI

InChI=1S/C25H25N5O3S2/c1-18-8-10-20(11-9-18)35(32,33)28-25(31)30-13-5-12-29(14-15-30)23-22-21(19-6-3-2-4-7-19)16-34-24(22)27-17-26-23/h2-4,6-11,16-17H,5,12-15H2,1H3,(H,28,31)