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

Systemtic Name: 7-bromanyl-4-[2-(3-methylphenyl)ethanoyl]-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 7-bromo-4-[2-(m-tolyl)acetyl]-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 7-bromo-4-[2-(3-methylphenyl)-1-oxoethyl]-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 7-bromo-4-[2-(3-methylphenyl)acetyl]-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 7-bromo-4-[2-(m-tolyl)acetyl]-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C22H19BrN2O2S MolecularWeight: 455.36746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19BrN2O2S/c1-14-4-2-5-15(10-14)11-21(27)25-13-20(26)24-18-8-7-16(23)12-17(18)22(25)19-6-3-9-28-19/h2-10,12,22H,11,13H2,1H3,(H,24,26)