N-cycloheptyl-3-methyl-6-oxidanylidene-1-phenyl-5-(phenylmethyl)-4H-pyrazolo[4,3-f][1,4]thiazepine-4-carboxamide

Systemtic Name: N-cycloheptyl-3-methyl-6-oxidanylidene-1-phenyl-5-(phenylmethyl)-4H-pyrazolo[4,3-f][1,4]thiazepine-4-carboxamide Openeye Name: 5-benzyl-N-cycloheptyl-3-methyl-6-oxo-1-phenyl-4H-pyrazolo[4,3-f][1,4]thiazepine-4-carboxamide CAS Name: N-cycloheptyl-3-methyl-6-oxo-1-phenyl-5-(phenylmethyl)-4H-pyrazolo[4,3-f][1,4]thiazepine-4-carboxamide IUPAC Name: 5-benzyl-N-cycloheptyl-3-methyl-6-oxo-1-phenyl-4H-pyrazolo[4,3-f][1,4]thiazepine-4-carboxamide Traditional Name: 5-benzyl-N-cycloheptyl-6-keto-3-methyl-1-phenyl-4H-pyrazolo[4,3-f][1,4]thiazepine-4-carboxamide Formula: C28H32N4O2S MolecularWeight: 488.64428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(N(C(=O)CS2)CC3=CC=CC=C3)C(=O)NC4CCCCCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C2=C1C(N(C(=O)CS2)CC3=CC=CC=C3)C(=O)NC4CCCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C28H32N4O2S/c1-20-25-26(27(34)29-22-14-8-2-3-9-15-22)31(18-21-12-6-4-7-13-21)24(33)19-35-28(25)32(30-20)23-16-10-5-11-17-23/h4-7,10-13,16-17,22,26H,2-3,8-9,14-15,18-19H2,1H3,(H,29,34)