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

Systemtic Name: 7-chloranyl-4-(3-methylbutanoyl)-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 7-chloro-4-(3-methylbutanoyl)-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 7-chloro-4-(3-methyl-1-oxobutyl)-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 7-chloro-4-(3-methylbutanoyl)-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 7-chloro-4-isovaleryl-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C18H19ClN2O2S MolecularWeight: 362.87366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN2O2S/c1-11(2)8-17(23)21-10-16(22)20-14-6-5-12(19)9-13(14)18(21)15-4-3-7-24-15/h3-7,9,11,18H,8,10H2,1-2H3,(H,20,22)