2-(2-cyclopentylethanoylamino)-N-(1-methyl-2-oxidanylidene-5-thiophen-2-yl-3H-1,4-benzodiazepin-3-yl)propanamide

Systemtic Name: 2-(2-cyclopentylethanoylamino)-N-(1-methyl-2-oxidanylidene-5-thiophen-2-yl-3H-1,4-benzodiazepin-3-yl)propanamide Openeye Name: 2-[(2-cyclopentylacetyl)amino]-N-[1-methyl-2-oxo-5-(2-thienyl)-3H-1,4-benzodiazepin-3-yl]propanamide CAS Name: 2-[(2-cyclopentyl-1-oxoethyl)amino]-N-(1-methyl-2-oxo-5-thiophen-2-yl-3H-1,4-benzodiazepin-3-yl)propanamide IUPAC Name: 2-[(2-cyclopentylacetyl)amino]-N-(1-methyl-2-oxo-5-thiophen-2-yl-3H-1,4-benzodiazepin-3-yl)propanamide Traditional Name: 2-[(2-cyclopentylacetyl)amino]-N-[2-keto-1-methyl-5-(2-thienyl)-3H-1,4-benzodiazepin-3-yl]propionamide Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CS3)C)NC(=O)CC4CCCC4

Isomeric SMILES

CC(C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CS3)C)NC(=O)CC4CCCC4

InChI

InChI=1S/C24H28N4O3S/c1-15(25-20(29)14-16-8-3-4-9-16)23(30)27-22-24(31)28(2)18-11-6-5-10-17(18)21(26-22)19-12-7-13-32-19/h5-7,10-13,15-16,22H,3-4,8-9,14H2,1-2H3,(H,25,29)(H,27,30)