4-cyano-5-(2-ethylbutanoylamino)-3-methyl-N-(phenylmethyl)-N-propan-2-yl-thiophene-2-carboxamide

Systemtic Name: 4-cyano-5-(2-ethylbutanoylamino)-3-methyl-N-(phenylmethyl)-N-propan-2-yl-thiophene-2-carboxamide Openeye Name: N-benzyl-4-cyano-5-(2-ethylbutanoylamino)-N-isopropyl-3-methyl-thiophene-2-carboxamide CAS Name: 4-cyano-5-[(2-ethyl-1-oxobutyl)amino]-3-methyl-N-(phenylmethyl)-N-propan-2-yl-2-thiophenecarboxamide IUPAC Name: N-benzyl-4-cyano-5-(2-ethylbutanoylamino)-3-methyl-N-propan-2-ylthiophene-2-carboxamide Traditional Name: N-benzyl-4-cyano-5-(2-ethylbutanoylamino)-N-isopropyl-3-methyl-thiophene-2-carboxamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O2S/c1-6-18(7-2)21(27)25-22-19(13-24)16(5)20(29-22)23(28)26(15(3)4)14-17-11-9-8-10-12-17/h8-12,15,18H,6-7,14H2,1-5H3,(H,25,27)