methyl 4-[(3-phenylazanylphenyl)carbamothioylamino]butanoate

Systemtic Name: methyl 4-[(3-phenylazanylphenyl)carbamothioylamino]butanoate Openeye Name: methyl 4-[(3-anilinophenyl)carbamothioylamino]butanoate CAS Name: 4-[[(3-anilinoanilino)-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(3-anilinophenyl)carbamothioylamino]butanoate Traditional Name: 4-[(3-anilinophenyl)thiocarbamoylamino]butyric acid methyl ester Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NC1=CC=CC(=C1)NC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCNC(=S)NC1=CC=CC(=C1)NC2=CC=CC=C2

InChI

InChI=1S/C18H21N3O2S/c1-23-17(22)11-6-12-19-18(24)21-16-10-5-9-15(13-16)20-14-7-3-2-4-8-14/h2-5,7-10,13,20H,6,11-12H2,1H3,(H2,19,21,24)