N-(cyanomethyl)-4-methyl-2-[[4-(3-oxidanylidene-3-phenyl-propanoyl)thiophen-3-yl]amino]pentanamide

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[[4-(3-oxidanylidene-3-phenyl-propanoyl)thiophen-3-yl]amino]pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[[4-(3-oxo-3-phenyl-propanoyl)-3-thienyl]amino]pentanamide CAS Name: N-(cyanomethyl)-2-[[4-(1,3-dioxo-3-phenylpropyl)-3-thiophenyl]amino]-4-methylpentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[[4-(3-oxo-3-phenylpropanoyl)thiophen-3-yl]amino]pentanamide Traditional Name: N-(cyanomethyl)-2-[[4-(3-keto-3-phenyl-propanoyl)-3-thienyl]amino]-4-methyl-valeramide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC1=CSC=C1C(=O)CC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)NC1=CSC=C1C(=O)CC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H23N3O3S/c1-14(2)10-17(21(27)23-9-8-22)24-18-13-28-12-16(18)20(26)11-19(25)15-6-4-3-5-7-15/h3-7,12-14,17,24H,9-11H2,1-2H3,(H,23,27)