N-[2-[2-[cyclopropyl-(1-ethanoylpiperidin-4-yl)amino]-2-oxidanylidene-ethyl]sulfanylethyl]benzamide

Systemtic Name: N-[2-[2-[cyclopropyl-(1-ethanoylpiperidin-4-yl)amino]-2-oxidanylidene-ethyl]sulfanylethyl]benzamide Openeye Name: N-[2-[2-[(1-acetyl-4-piperidyl)-cyclopropyl-amino]-2-oxo-ethyl]sulfanylethyl]benzamide CAS Name: N-[2-[[2-[(1-acetyl-4-piperidinyl)-cyclopropylamino]-2-oxoethyl]thio]ethyl]benzamide IUPAC Name: N-[2-[2-[(1-acetylpiperidin-4-yl)-cyclopropylamino]-2-oxoethyl]sulfanylethyl]benzamide Traditional Name: N-[2-[[2-[(1-acetyl-4-piperidyl)-cyclopropyl-amino]-2-keto-ethyl]thio]ethyl]benzamide Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)N(C2CC2)C(=O)CSCCNC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)N1CCC(CC1)N(C2CC2)C(=O)CSCCNC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H29N3O3S/c1-16(25)23-12-9-19(10-13-23)24(18-7-8-18)20(26)15-28-14-11-22-21(27)17-5-3-2-4-6-17/h2-6,18-19H,7-15H2,1H3,(H,22,27)