O-propan-2-yl [2-oxidanylidene-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl]sulfanylmethanethioate

Systemtic Name: O-propan-2-yl [2-oxidanylidene-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl]sulfanylmethanethioate Openeye Name: O-isopropyl [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl]sulfanylmethanethioate CAS Name: [[2-[4-[anilino(oxo)methyl]-1-piperazinyl]-2-oxoethyl]thio]methanethioic acid O-propan-2-yl ester IUPAC Name: O-propan-2-yl [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl]sulfanylmethanethioate Traditional Name: [[2-keto-2-[4-(phenylcarbamoyl)piperazino]ethyl]thio]methanethioic acid O-isopropyl ester Formula: C17H23N3O3S2 MolecularWeight: 381.51282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=S)SCC(=O)N1CCN(CC1)C(=O)NC2=CC=CC=C2

Isomeric SMILES

CC(C)OC(=S)SCC(=O)N1CCN(CC1)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C17H23N3O3S2/c1-13(2)23-17(24)25-12-15(21)19-8-10-20(11-9-19)16(22)18-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3,(H,18,22)