N-(cyanomethyl)-4-methyl-2-[[4-(3-propan-2-yloxyphenyl)thiophen-3-yl]amino]pentanamide

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[[4-(3-propan-2-yloxyphenyl)thiophen-3-yl]amino]pentanamide Openeye Name: N-(cyanomethyl)-2-[[4-(3-isopropoxyphenyl)-3-thienyl]amino]-4-methyl-pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[[4-(3-propan-2-yloxyphenyl)-3-thiophenyl]amino]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[[4-(3-propan-2-yloxyphenyl)thiophen-3-yl]amino]pentanamide Traditional Name: N-(cyanomethyl)-2-[[4-(3-isopropoxyphenyl)-3-thienyl]amino]-4-methyl-valeramide Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC1=CSC=C1C2=CC(=CC=C2)OC(C)C

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)NC1=CSC=C1C2=CC(=CC=C2)OC(C)C

InChI

InChI=1S/C21H27N3O2S/c1-14(2)10-19(21(25)23-9-8-22)24-20-13-27-12-18(20)16-6-5-7-17(11-16)26-15(3)4/h5-7,11-15,19,24H,9-10H2,1-4H3,(H,23,25)