3-(2-oxidanylidene-8-pyrrol-1-yl-1,3-dihydro-1,5-benzodiazepin-4-yl)benzenecarbothioamide

Systemtic Name: 3-(2-oxidanylidene-8-pyrrol-1-yl-1,3-dihydro-1,5-benzodiazepin-4-yl)benzenecarbothioamide Openeye Name: 3-(2-oxo-8-pyrrol-1-yl-1,3-dihydro-1,5-benzodiazepin-4-yl)benzenecarbothioamide CAS Name: 3-[2-oxo-8-(1-pyrrolyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbothioamide IUPAC Name: 3-(2-oxo-8-pyrrol-1-yl-1,3-dihydro-1,5-benzodiazepin-4-yl)benzenecarbothioamide Traditional Name: 3-(2-keto-8-pyrrol-1-yl-1,3-dihydro-1,5-benzodiazepin-4-yl)thiobenzamide Formula: C20H16N4OS MolecularWeight: 360.43224

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(C=C(C=C2)N3C=CC=C3)NC1=O)C4=CC(=CC=C4)C(=S)N

Isomeric SMILES

C1C(=NC2=C(C=C(C=C2)N3C=CC=C3)NC1=O)C4=CC(=CC=C4)C(=S)N

InChI

InChI=1S/C20H16N4OS/c21-20(26)14-5-3-4-13(10-14)17-12-19(25)23-18-11-15(6-7-16(18)22-17)24-8-1-2-9-24/h1-11H,12H2,(H2,21,26)(H,23,25)