propyl 4-[(4-heptoxyphenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: propyl 4-[(4-heptoxyphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[(4-heptoxyphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(4-heptoxyanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[(4-heptoxyphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(4-heptoxyphenyl)thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C21H32N2O4S MolecularWeight: 408.55478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCC

InChI

InChI=1S/C21H32N2O4S/c1-3-5-6-7-8-16-26-18-11-9-17(10-12-18)22-21(28)23-19(24)13-14-20(25)27-15-4-2/h9-12H,3-8,13-16H2,1-2H3,(H2,22,23,24,28)