4-methylsulfanyl-2-(2-phenoxyethanoylamino)-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide

Systemtic Name: 4-methylsulfanyl-2-(2-phenoxyethanoylamino)-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide Openeye Name: 4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide CAS Name: 4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]-N-[3-(4-phenyl-1-piperazinyl)propyl]butanamide IUPAC Name: 4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide Traditional Name: 4-(methylthio)-2-[(2-phenoxyacetyl)amino]-N-[3-(4-phenylpiperazino)propyl]butyramide Formula: C26H36N4O3S MolecularWeight: 484.65404

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCCCN1CCN(CC1)C2=CC=CC=C2)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)NCCCN1CCN(CC1)C2=CC=CC=C2)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C26H36N4O3S/c1-34-20-13-24(28-25(31)21-33-23-11-6-3-7-12-23)26(32)27-14-8-15-29-16-18-30(19-17-29)22-9-4-2-5-10-22/h2-7,9-12,24H,8,13-21H2,1H3,(H,27,32)(H,28,31)