methyl 4-[[(Z)-4-phenylbutan-2-ylideneamino]carbamothioylamino]benzoate

Systemtic Name: methyl 4-[[(Z)-4-phenylbutan-2-ylideneamino]carbamothioylamino]benzoate Openeye Name: methyl 4-[[(Z)-(1-methyl-3-phenyl-propylidene)amino]carbamothioylamino]benzoate CAS Name: 4-[[[(2Z)-2-(4-phenylbutan-2-ylidene)hydrazinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(Z)-4-phenylbutan-2-ylideneamino]carbamothioylamino]benzoate Traditional Name: 4-[[(Z)-(1-methyl-3-phenyl-propylidene)amino]thiocarbamoylamino]benzoic acid methyl ester Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NC1=CC=C(C=C1)C(=O)OC)CCC2=CC=CC=C2

Isomeric SMILES

C/C(=N/NC(=S)NC1=CC=C(C=C1)C(=O)OC)/CCC2=CC=CC=C2

InChI

InChI=1S/C19H21N3O2S/c1-14(8-9-15-6-4-3-5-7-15)21-22-19(25)20-17-12-10-16(11-13-17)18(23)24-2/h3-7,10-13H,8-9H2,1-2H3,(H2,20,22,25)/b21-14-