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

Systemtic Name: 4-(5-bromanyl-2-chloranyl-phenyl)carbonyl-7-methyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 4-(5-bromo-2-chloro-benzoyl)-7-methyl-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 4-[(5-bromo-2-chlorophenyl)-oxomethyl]-7-methyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 4-(5-bromo-2-chlorobenzoyl)-7-methyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 4-(5-bromo-2-chloro-benzoyl)-7-methyl-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C21H16BrClN2O2S MolecularWeight: 475.78594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)CN(C2C3=CC=CS3)C(=O)C4=C(C=CC(=C4)Br)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)CN(C2C3=CC=CS3)C(=O)C4=C(C=CC(=C4)Br)Cl

InChI

InChI=1S/C21H16BrClN2O2S/c1-12-4-7-17-15(9-12)20(18-3-2-8-28-18)25(11-19(26)24-17)21(27)14-10-13(22)5-6-16(14)23/h2-10,20H,11H2,1H3,(H,24,26)