3-methylbutyl 2-[3-oxidanylidene-1-[(4-propan-2-ylphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate

Systemtic Name: 3-methylbutyl 2-[3-oxidanylidene-1-[(4-propan-2-ylphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[1-[(4-isopropylbenzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[[oxo-(4-propan-2-ylphenyl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[3-oxo-1-[(4-propan-2-ylbenzoyl)carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[1-(cumoylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid isoamyl ester Formula: C22H31N3O4S MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=C(C=C2)C(C)C

Isomeric SMILES

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C22H31N3O4S/c1-14(2)9-12-29-19(26)13-18-21(28)23-10-11-25(18)22(30)24-20(27)17-7-5-16(6-8-17)15(3)4/h5-8,14-15,18H,9-13H2,1-4H3,(H,23,28)(H,24,27,30)