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

Systemtic Name: N-[3-cyano-4-methyl-5-[(phenylmethyl)-propan-2-yl-amino]thiophen-2-yl]-2-ethyl-butanamide Openeye Name: N-[5-[benzyl(isopropyl)amino]-3-cyano-4-methyl-2-thienyl]-2-ethyl-butanamide CAS Name: N-[3-cyano-4-methyl-5-[(phenylmethyl)-propan-2-ylamino]-2-thiophenyl]-2-ethylbutanamide IUPAC Name: N-[5-[benzyl(propan-2-yl)amino]-3-cyano-4-methylthiophen-2-yl]-2-ethylbutanamide Traditional Name: N-[5-[benzyl(isopropyl)amino]-3-cyano-4-methyl-2-thienyl]-2-ethyl-butyramide Formula: C22H29N3OS MolecularWeight: 383.55016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3OS/c1-6-18(7-2)20(26)24-21-19(13-23)16(5)22(27-21)25(15(3)4)14-17-11-9-8-10-12-17/h8-12,15,18H,6-7,14H2,1-5H3,(H,24,26)