2-[2-[4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]propanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[2-[4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]propanoylamino]thiophene-3-carboxamide Openeye Name: 2-[2-[4-[2-(4-methylanilino)-2-oxo-ethyl]piperazin-1-yl]propanoylamino]thiophene-3-carboxamide CAS Name: 2-[[2-[4-[2-(4-methylanilino)-2-oxoethyl]-1-piperazinyl]-1-oxopropyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]propanoylamino]thiophene-3-carboxamide Traditional Name: 2-[2-[4-[2-keto-2-(p-toluidino)ethyl]piperazino]propanoylamino]thiophene-3-carboxamide Formula: C21H27N5O3S MolecularWeight: 429.53578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C(C)C(=O)NC3=C(C=CS3)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C(C)C(=O)NC3=C(C=CS3)C(=O)N

InChI

InChI=1S/C21H27N5O3S/c1-14-3-5-16(6-4-14)23-18(27)13-25-8-10-26(11-9-25)15(2)20(29)24-21-17(19(22)28)7-12-30-21/h3-7,12,15H,8-11,13H2,1-2H3,(H2,22,28)(H,23,27)(H,24,29)