7-bromanyl-4-(4-methylphenyl)carbonyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

Systemtic Name: 7-bromanyl-4-(4-methylphenyl)carbonyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 7-bromo-4-(4-methylbenzoyl)-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 7-bromo-4-[(4-methylphenyl)-oxomethyl]-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 7-bromo-4-(4-methylbenzoyl)-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 7-bromo-4-p-toluoyl-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C21H17BrN2O2S MolecularWeight: 441.34088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CC(=O)NC3=C(C2C4=CC=CS4)C=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CC(=O)NC3=C(C2C4=CC=CS4)C=C(C=C3)Br

InChI

InChI=1S/C21H17BrN2O2S/c1-13-4-6-14(7-5-13)21(26)24-12-19(25)23-17-9-8-15(22)11-16(17)20(24)18-3-2-10-27-18/h2-11,20H,12H2,1H3,(H,23,25)