S-(2-benzamidoethyl) 2-(cyclopropylamino)-2-(1-ethanoylpiperidin-4-yl)ethanethioate

Systemtic Name: S-(2-benzamidoethyl) 2-(cyclopropylamino)-2-(1-ethanoylpiperidin-4-yl)ethanethioate Openeye Name: S-(2-benzamidoethyl) 2-(1-acetyl-4-piperidyl)-2-(cyclopropylamino)ethanethioate CAS Name: 2-(1-acetyl-4-piperidinyl)-2-(cyclopropylamino)ethanethioic acid S-(2-benzamidoethyl) ester IUPAC Name: S-(2-benzamidoethyl) 2-(1-acetylpiperidin-4-yl)-2-(cyclopropylamino)ethanethioate Traditional Name: 2-(1-acetyl-4-piperidyl)-2-(cyclopropylamino)ethanethioic acid S-(2-benzamidoethyl) ester Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)C(C(=O)SCCNC(=O)C2=CC=CC=C2)NC3CC3

Isomeric SMILES

CC(=O)N1CCC(CC1)C(C(=O)SCCNC(=O)C2=CC=CC=C2)NC3CC3

InChI

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