7-methoxy-N-phenyl-3,5-dihydro-2H-1,4-benzothiazepine-4-carbothioamide

Systemtic Name: 7-methoxy-N-phenyl-3,5-dihydro-2H-1,4-benzothiazepine-4-carbothioamide Openeye Name: 7-methoxy-N-phenyl-3,5-dihydro-2H-1,4-benzothiazepine-4-carbothioamide CAS Name: 7-methoxy-N-phenyl-3,5-dihydro-2H-1,4-benzothiazepine-4-carbothioamide IUPAC Name: 7-methoxy-N-phenyl-3,5-dihydro-2H-1,4-benzothiazepine-4-carbothioamide Traditional Name: 7-methoxy-N-phenyl-3,5-dihydro-2H-1,4-benzothiazepine-4-carbothioamide Formula: C17H18N2OS2 MolecularWeight: 330.46762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SCCN(C2)C(=S)NC3=CC=CC=C3

Isomeric SMILES

COC1=CC2=C(C=C1)SCCN(C2)C(=S)NC3=CC=CC=C3

InChI

InChI=1S/C17H18N2OS2/c1-20-15-7-8-16-13(11-15)12-19(9-10-22-16)17(21)18-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,18,21)