N-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethylamino]-4-oxidanylidene-butyl]thiophene-3-carboxamide

Systemtic Name: N-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethylamino]-4-oxidanylidene-butyl]thiophene-3-carboxamide Openeye Name: N-[4-[2-[4-(m-tolyl)piperazin-1-yl]ethylamino]-4-oxo-butyl]thiophene-3-carboxamide CAS Name: N-[4-[2-[4-(3-methylphenyl)-1-piperazinyl]ethylamino]-4-oxobutyl]-3-thiophenecarboxamide IUPAC Name: N-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethylamino]-4-oxobutyl]thiophene-3-carboxamide Traditional Name: N-[4-keto-4-[2-[4-(m-tolyl)piperazino]ethylamino]butyl]thiophene-3-carboxamide Formula: C22H30N4O2S MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CCNC(=O)CCCNC(=O)C3=CSC=C3

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CCNC(=O)CCCNC(=O)C3=CSC=C3

InChI

InChI=1S/C22H30N4O2S/c1-18-4-2-5-20(16-18)26-13-11-25(12-14-26)10-9-23-21(27)6-3-8-24-22(28)19-7-15-29-17-19/h2,4-5,7,15-17H,3,6,8-14H2,1H3,(H,23,27)(H,24,28)