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

Systemtic Name: methyl 2-[(2S)-3-oxidanylidene-1-[(4-propoxyphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate Openeye Name: methyl 2-[(2S)-3-oxo-1-[(4-propoxybenzoyl)carbamothioyl]piperazin-2-yl]acetate CAS Name: 2-[(2S)-3-oxo-1-[[[oxo-(4-propoxyphenyl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2S)-3-oxo-1-[(4-propoxybenzoyl)carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[(2S)-3-keto-1-[(4-propoxybenzoyl)thiocarbamoyl]piperazin-2-yl]acetic acid methyl ester Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCNC(=O)[C@@H]2CC(=O)OC

InChI

InChI=1S/C18H23N3O5S/c1-3-10-26-13-6-4-12(5-7-13)16(23)20-18(27)21-9-8-19-17(24)14(21)11-15(22)25-2/h4-7,14H,3,8-11H2,1-2H3,(H,19,24)(H,20,23,27)/t14-/m0/s1