3-[8-chloranyl-7-(dimethylamino)-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbothioamide

Systemtic Name: 3-[8-chloranyl-7-(dimethylamino)-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbothioamide Openeye Name: 3-[8-chloro-7-(dimethylamino)-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbothioamide CAS Name: 3-[8-chloro-7-(dimethylamino)-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbothioamide IUPAC Name: 3-[8-chloro-7-(dimethylamino)-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbothioamide Traditional Name: 3-[8-chloro-7-(dimethylamino)-2-keto-1,3-dihydro-1,5-benzodiazepin-4-yl]thiobenzamide Formula: C18H17ClN4OS MolecularWeight: 372.87178

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C2C(=C1)N=C(CC(=O)N2)C3=CC(=CC=C3)C(=S)N)Cl

Isomeric SMILES

CN(C)C1=C(C=C2C(=C1)N=C(CC(=O)N2)C3=CC(=CC=C3)C(=S)N)Cl

InChI

InChI=1S/C18H17ClN4OS/c1-23(2)16-8-15-14(7-12(16)19)22-17(24)9-13(21-15)10-4-3-5-11(6-10)18(20)25/h3-8H,9H2,1-2H3,(H2,20,25)(H,22,24)