4-butanoyl-7-methyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

Systemtic Name: 4-butanoyl-7-methyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 4-butanoyl-7-methyl-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 7-methyl-4-(1-oxobutyl)-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 4-butanoyl-7-methyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 4-butyryl-7-methyl-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C18H20N2O2S MolecularWeight: 328.4286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CC(=O)NC2=C(C1C3=CC=CS3)C=C(C=C2)C

Isomeric SMILES

CCCC(=O)N1CC(=O)NC2=C(C1C3=CC=CS3)C=C(C=C2)C

InChI

InChI=1S/C18H20N2O2S/c1-3-5-17(22)20-11-16(21)19-14-8-7-12(2)10-13(14)18(20)15-6-4-9-23-15/h4,6-10,18H,3,5,11H2,1-2H3,(H,19,21)