N-[3-cyano-4-methyl-5-[2-methylpropyl-(phenylmethyl)amino]thiophen-2-yl]-2-ethyl-butanamide

Systemtic Name: N-[3-cyano-4-methyl-5-[2-methylpropyl-(phenylmethyl)amino]thiophen-2-yl]-2-ethyl-butanamide Openeye Name: N-[5-[benzyl(isobutyl)amino]-3-cyano-4-methyl-2-thienyl]-2-ethyl-butanamide CAS Name: N-[3-cyano-4-methyl-5-[2-methylpropyl-(phenylmethyl)amino]-2-thiophenyl]-2-ethylbutanamide IUPAC Name: N-[5-[benzyl(2-methylpropyl)amino]-3-cyano-4-methylthiophen-2-yl]-2-ethylbutanamide Traditional Name: N-[5-[benzyl(isobutyl)amino]-3-cyano-4-methyl-2-thienyl]-2-ethyl-butyramide Formula: C23H31N3OS MolecularWeight: 397.57674

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=C(C(=C(S1)N(CC2=CC=CC=C2)CC(C)C)C)C#N

Isomeric SMILES

CCC(CC)C(=O)NC1=C(C(=C(S1)N(CC2=CC=CC=C2)CC(C)C)C)C#N

InChI

InChI=1S/C23H31N3OS/c1-6-19(7-2)21(27)25-22-20(13-24)17(5)23(28-22)26(14-16(3)4)15-18-11-9-8-10-12-18/h8-12,16,19H,6-7,14-15H2,1-5H3,(H,25,27)