ethyl (E)-4-[[4-(3-methylbutoxy)phenyl]carbamothioylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[[4-(3-methylbutoxy)phenyl]carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[(4-isopentyloxyphenyl)carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[4-(3-methylbutoxy)anilino]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[4-(3-methylbutoxy)phenyl]carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[(4-isoamoxyphenyl)thiocarbamoylamino]-4-keto-but-2-enoic acid ethyl ester Formula: C18H24N2O4S MolecularWeight: 364.45916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)NC1=CC=C(C=C1)OCCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O4S/c1-4-23-17(22)10-9-16(21)20-18(25)19-14-5-7-15(8-6-14)24-12-11-13(2)3/h5-10,13H,4,11-12H2,1-3H3,(H2,19,20,21,25)/b10-9+