ethyl (E)-4-[[4-[(2-methylphenyl)carbonylamino]phenyl]carbamothioylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[[4-[(2-methylphenyl)carbonylamino]phenyl]carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[[4-[(2-methylbenzoyl)amino]phenyl]carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[4-[[(2-methylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[4-[(2-methylbenzoyl)amino]phenyl]carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-keto-4-[[4-(o-toluoylamino)phenyl]thiocarbamoylamino]but-2-enoic acid ethyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C

InChI

InChI=1S/C21H21N3O4S/c1-3-28-19(26)13-12-18(25)24-21(29)23-16-10-8-15(9-11-16)22-20(27)17-7-5-4-6-14(17)2/h4-13H,3H2,1-2H3,(H,22,27)(H2,23,24,25,29)/b13-12+