4-[4-[5-(acetamidomethyl)thiophen-2-yl]-4-oxidanylidene-butyl]-N-phenyl-piperazine-1-carboxamide

Systemtic Name: 4-[4-[5-(acetamidomethyl)thiophen-2-yl]-4-oxidanylidene-butyl]-N-phenyl-piperazine-1-carboxamide Openeye Name: 4-[4-[5-(acetamidomethyl)-2-thienyl]-4-oxo-butyl]-N-phenyl-piperazine-1-carboxamide CAS Name: 4-[4-[5-(acetamidomethyl)-2-thiophenyl]-4-oxobutyl]-N-phenyl-1-piperazinecarboxamide IUPAC Name: 4-[4-[5-(acetamidomethyl)thiophen-2-yl]-4-oxobutyl]-N-phenylpiperazine-1-carboxamide Traditional Name: 4-[4-[5-(acetamidomethyl)-2-thienyl]-4-keto-butyl]-N-phenyl-piperazine-1-carboxamide Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(S1)C(=O)CCCN2CCN(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(=O)NCC1=CC=C(S1)C(=O)CCCN2CCN(CC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O3S/c1-17(27)23-16-19-9-10-21(30-19)20(28)8-5-11-25-12-14-26(15-13-25)22(29)24-18-6-3-2-4-7-18/h2-4,6-7,9-10H,5,8,11-16H2,1H3,(H,23,27)(H,24,29)