N-phenethyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide

Systemtic Name: N-phenethyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide Openeye Name: N-phenethyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide CAS Name: N-phenethyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide IUPAC Name: N-phenethyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide Traditional Name: N-phenethyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide Formula: C18H20N2S2 MolecularWeight: 328.4948

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)C(=S)NCCC3=CC=CC=C3

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)C(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C18H20N2S2/c21-18(19-12-11-15-7-2-1-3-8-15)20-13-6-14-22-17-10-5-4-9-16(17)20/h1-5,7-10H,6,11-14H2,(H,19,21)