methyl 4-[[4-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]carbothioylamino]butanoate

Systemtic Name: methyl 4-[[4-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]carbothioylamino]butanoate Openeye Name: methyl 4-[[4-[2-(2-ethylanilino)-2-oxo-ethyl]piperazine-1-carbothioyl]amino]butanoate CAS Name: 4-[[[4-[2-(2-ethylanilino)-2-oxoethyl]-1-piperazinyl]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-[2-(2-ethylanilino)-2-oxoethyl]piperazine-1-carbothioyl]amino]butanoate Traditional Name: 4-[[4-[2-(2-ethylanilino)-2-keto-ethyl]piperazine-1-carbothioyl]amino]butyric acid methyl ester Formula: C20H30N4O3S MolecularWeight: 406.5422

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CN2CCN(CC2)C(=S)NCCCC(=O)OC

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CN2CCN(CC2)C(=S)NCCCC(=O)OC

InChI

InChI=1S/C20H30N4O3S/c1-3-16-7-4-5-8-17(16)22-18(25)15-23-11-13-24(14-12-23)20(28)21-10-6-9-19(26)27-2/h4-5,7-8H,3,6,9-15H2,1-2H3,(H,21,28)(H,22,25)