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

Systemtic Name: ethyl (E)-4-[[3-(dipropylcarbamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[[3-(dipropylcarbamoyl)phenyl]carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[3-[(dipropylamino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[3-(dipropylcarbamoyl)phenyl]carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[[3-(dipropylcarbamoyl)phenyl]thiocarbamoylamino]-4-keto-but-2-enoic acid ethyl ester Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C=CC(=O)OCC

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC(=CC=C1)NC(=S)NC(=O)/C=C/C(=O)OCC

InChI

InChI=1S/C20H27N3O4S/c1-4-12-23(13-5-2)19(26)15-8-7-9-16(14-15)21-20(28)22-17(24)10-11-18(25)27-6-3/h7-11,14H,4-6,12-13H2,1-3H3,(H2,21,22,24,28)/b11-10+