(3R)-3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylidene-1,5-dihydro-1,5-benzodiazepin-4-one

Systemtic Name: (3R)-3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylidene-1,5-dihydro-1,5-benzodiazepin-4-one Openeye Name: (3R)-3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylene-1,5-dihydro-1,5-benzodiazepin-4-one CAS Name: (3R)-3-(1,3-benzothiazol-2-ylthio)-2-methylene-1,5-dihydro-1,5-benzodiazepin-4-one IUPAC Name: (3R)-3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylidene-1,5-dihydro-1,5-benzodiazepin-4-one Traditional Name: (3R)-3-(1,3-benzothiazol-2-ylthio)-2-methylene-1,5-dihydro-1,5-benzodiazepin-4-one Formula: C17H13N3OS2 MolecularWeight: 339.43462

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(=O)NC2=CC=CC=C2N1)SC3=NC4=CC=CC=C4S3

Isomeric SMILES

C=C1[C@H](C(=O)NC2=CC=CC=C2N1)SC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H13N3OS2/c1-10-15(16(21)19-12-7-3-2-6-11(12)18-10)23-17-20-13-8-4-5-9-14(13)22-17/h2-9,15,18H,1H2,(H,19,21)/t15-/m1/s1