7-bromanyl-4-pentanoyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

Systemtic Name: 7-bromanyl-4-pentanoyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 7-bromo-4-pentanoyl-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 7-bromo-4-(1-oxopentyl)-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 7-bromo-4-pentanoyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 7-bromo-5-(2-thienyl)-4-valeryl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C18H19BrN2O2S MolecularWeight: 407.32466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1CC(=O)NC2=C(C1C3=CC=CS3)C=C(C=C2)Br

Isomeric SMILES

CCCCC(=O)N1CC(=O)NC2=C(C1C3=CC=CS3)C=C(C=C2)Br

InChI

InChI=1S/C18H19BrN2O2S/c1-2-3-6-17(23)21-11-16(22)20-14-8-7-12(19)10-13(14)18(21)15-5-4-9-24-15/h4-5,7-10,18H,2-3,6,11H2,1H3,(H,20,22)