N-(2-dimethylaminoethyl)-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide

Systemtic Name: N-(2-dimethylaminoethyl)-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide Openeye Name: N-(2-dimethylaminoethyl)-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide CAS Name: N-(2-dimethylaminoethyl)-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide IUPAC Name: N-(2-dimethylaminoethyl)-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide Traditional Name: N-(2-dimethylaminoethyl)-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide Formula: C14H21N3S2 MolecularWeight: 295.46664

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=S)N1CCCSC2=CC=CC=C21

Isomeric SMILES

CN(C)CCNC(=S)N1CCCSC2=CC=CC=C21

InChI

InChI=1S/C14H21N3S2/c1-16(2)10-8-15-14(18)17-9-5-11-19-13-7-4-3-6-12(13)17/h3-4,6-7H,5,8-11H2,1-2H3,(H,15,18)