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

Systemtic Name: 7-bromanyl-4-(phenylcarbonyl)-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 4-benzoyl-7-bromo-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 4-benzoyl-7-bromo-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 4-benzoyl-7-bromo-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 4-benzoyl-7-bromo-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C20H15BrN2O2S MolecularWeight: 427.3143

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(C=C(C=C2)Br)C(N1C(=O)C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C1C(=O)NC2=C(C=C(C=C2)Br)C(N1C(=O)C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C20H15BrN2O2S/c21-14-8-9-16-15(11-14)19(17-7-4-10-26-17)23(12-18(24)22-16)20(25)13-5-2-1-3-6-13/h1-11,19H,12H2,(H,22,24)