N-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide

Systemtic Name: N-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide Openeye Name: N-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide CAS Name: N-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide IUPAC Name: N-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide Traditional Name: N-p-anisyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide Formula: C18H20N2OS2 MolecularWeight: 344.4942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=S)N2CCCSC3=CC=CC=C32

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=S)N2CCCSC3=CC=CC=C32

InChI

InChI=1S/C18H20N2OS2/c1-21-15-9-7-14(8-10-15)13-19-18(22)20-11-4-12-23-17-6-3-2-5-16(17)20/h2-3,5-10H,4,11-13H2,1H3,(H,19,22)