3-phenylpropyl 4-(ethylcarbamothioylamino)-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-(ethylcarbamothioylamino)-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-(ethylcarbamothioylamino)-4-oxo-butanoate CAS Name: 4-[[ethylamino(sulfanylidene)methyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-(ethylcarbamothioylamino)-4-oxobutanoate Traditional Name: 4-(ethylthiocarbamoylamino)-4-keto-butyric acid 3-phenylpropyl ester Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NC(=O)CCC(=O)OCCCC1=CC=CC=C1

Isomeric SMILES

CCNC(=S)NC(=O)CCC(=O)OCCCC1=CC=CC=C1

InChI

InChI=1S/C16H22N2O3S/c1-2-17-16(22)18-14(19)10-11-15(20)21-12-6-9-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H2,17,18,19,22)