7-(4-methylphenyl)-N-[4-(piperidin-1-ylmethyl)phenyl]-2,3-dihydro-1-benzothiepine-4-carboxamide

Systemtic Name: 7-(4-methylphenyl)-N-[4-(piperidin-1-ylmethyl)phenyl]-2,3-dihydro-1-benzothiepine-4-carboxamide Openeye Name: N-[4-(1-piperidylmethyl)phenyl]-7-(p-tolyl)-2,3-dihydro-1-benzothiepine-4-carboxamide CAS Name: 7-(4-methylphenyl)-N-[4-(1-piperidinylmethyl)phenyl]-2,3-dihydro-1-benzothiepin-4-carboxamide IUPAC Name: 7-(4-methylphenyl)-N-[4-(piperidin-1-ylmethyl)phenyl]-2,3-dihydro-1-benzothiepine-4-carboxamide Traditional Name: N-[4-(piperidinomethyl)phenyl]-7-(p-tolyl)-2,3-dihydro-1-benzothiepin-4-carboxamide Formula: C30H32N2OS MolecularWeight: 468.65288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)SCCC(=C3)C(=O)NC4=CC=C(C=C4)CN5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)SCCC(=C3)C(=O)NC4=CC=C(C=C4)CN5CCCCC5

InChI

InChI=1S/C30H32N2OS/c1-22-5-9-24(10-6-22)25-11-14-29-27(19-25)20-26(15-18-34-29)30(33)31-28-12-7-23(8-13-28)21-32-16-3-2-4-17-32/h5-14,19-20H,2-4,15-18,21H2,1H3,(H,31,33)