butan-2-yl 2-[3-oxidanylidene-1-[(4-propoxyphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate

Systemtic Name: butan-2-yl 2-[3-oxidanylidene-1-[(4-propoxyphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate Openeye Name: sec-butyl 2-[3-oxo-1-[(4-propoxybenzoyl)carbamothioyl]piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[[oxo-(4-propoxyphenyl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-[3-oxo-1-[(4-propoxybenzoyl)carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[(4-propoxybenzoyl)thiocarbamoyl]piperazin-2-yl]acetic acid sec-butyl ester Formula: C21H29N3O5S MolecularWeight: 435.53706

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OC(C)CC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OC(C)CC

InChI

InChI=1S/C21H29N3O5S/c1-4-12-28-16-8-6-15(7-9-16)19(26)23-21(30)24-11-10-22-20(27)17(24)13-18(25)29-14(3)5-2/h6-9,14,17H,4-5,10-13H2,1-3H3,(H,22,27)(H,23,26,30)