methyl 4-[(3-methylbutylcarbamothioylamino)carbamoyl]benzoate

Systemtic Name: methyl 4-[(3-methylbutylcarbamothioylamino)carbamoyl]benzoate Openeye Name: methyl 4-[(isopentylcarbamothioylamino)carbamoyl]benzoate CAS Name: 4-[[[(3-methylbutylamino)-sulfanylidenemethyl]hydrazo]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-methylbutylcarbamothioylamino)carbamoyl]benzoate Traditional Name: 4-[(isoamylthiocarbamoylamino)carbamoyl]benzoic acid methyl ester Formula: C15H21N3O3S MolecularWeight: 323.41054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=S)NNC(=O)C1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CC(C)CCNC(=S)NNC(=O)C1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C15H21N3O3S/c1-10(2)8-9-16-15(22)18-17-13(19)11-4-6-12(7-5-11)14(20)21-3/h4-7,10H,8-9H2,1-3H3,(H,17,19)(H2,16,18,22)