methyl 4-[(4-iodophenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[(4-iodophenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[(4-iodophenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(4-iodoanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(4-iodophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(4-iodophenyl)thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C12H13IN2O3S MolecularWeight: 392.21269

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)I

Isomeric SMILES

COC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)I

InChI

InChI=1S/C12H13IN2O3S/c1-18-11(17)7-6-10(16)15-12(19)14-9-4-2-8(13)3-5-9/h2-5H,6-7H2,1H3,(H2,14,15,16,19)