2-(2-ethylbutanoylamino)-4-methyl-5-(4-phenylpiperazin-1-yl)thiophene-3-carboxamide

Systemtic Name: 2-(2-ethylbutanoylamino)-4-methyl-5-(4-phenylpiperazin-1-yl)thiophene-3-carboxamide Openeye Name: 2-(2-ethylbutanoylamino)-4-methyl-5-(4-phenylpiperazin-1-yl)thiophene-3-carboxamide CAS Name: 2-[(2-ethyl-1-oxobutyl)amino]-4-methyl-5-(4-phenyl-1-piperazinyl)-3-thiophenecarboxamide IUPAC Name: 2-(2-ethylbutanoylamino)-4-methyl-5-(4-phenylpiperazin-1-yl)thiophene-3-carboxamide Traditional Name: 2-(2-ethylbutanoylamino)-4-methyl-5-(4-phenylpiperazino)thiophene-3-carboxamide Formula: C22H30N4O2S MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=C(C(=C(S1)N2CCN(CC2)C3=CC=CC=C3)C)C(=O)N

Isomeric SMILES

CCC(CC)C(=O)NC1=C(C(=C(S1)N2CCN(CC2)C3=CC=CC=C3)C)C(=O)N

InChI

InChI=1S/C22H30N4O2S/c1-4-16(5-2)20(28)24-21-18(19(23)27)15(3)22(29-21)26-13-11-25(12-14-26)17-9-7-6-8-10-17/h6-10,16H,4-5,11-14H2,1-3H3,(H2,23,27)(H,24,28)