4-oxidanylidene-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: 4-oxidanylidene-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: 4-oxo-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C19H16N4O2S3 MolecularWeight: 428.55094

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4)NC1=O

InChI

InChI=1S/C19H16N4O2S3/c24-16-8-9-26-15-7-6-13(10-14(15)20-16)17(25)21-18-22-23-19(28-18)27-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,20,24)(H,21,22,25)