N-[3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]-2-[4-(4-propan-2-ylphenyl)carbonylpiperazin-1-yl]ethanamide

Systemtic Name: N-[3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]-2-[4-(4-propan-2-ylphenyl)carbonylpiperazin-1-yl]ethanamide Openeye Name: 2-[4-(4-isopropylbenzoyl)piperazin-1-yl]-N-(3-methyl-1,1-dioxo-thiolan-3-yl)acetamide CAS Name: N-(3-methyl-1,1-dioxo-3-thiolanyl)-2-[4-[oxo-(4-propan-2-ylphenyl)methyl]-1-piperazinyl]acetamide IUPAC Name: N-(3-methyl-1,1-dioxothiolan-3-yl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide Traditional Name: 2-(4-cumoylpiperazino)-N-(1,1-diketo-3-methyl-thiolan-3-yl)acetamide Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC(=O)NC3(CCS(=O)(=O)C3)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC(=O)NC3(CCS(=O)(=O)C3)C

InChI

InChI=1S/C21H31N3O4S/c1-16(2)17-4-6-18(7-5-17)20(26)24-11-9-23(10-12-24)14-19(25)22-21(3)8-13-29(27,28)15-21/h4-7,16H,8-15H2,1-3H3,(H,22,25)