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

Systemtic Name: ethyl (E)-4-[[4-(3-methoxypropylcarbamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[[4-(3-methoxypropylcarbamoyl)phenyl]carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[4-[(3-methoxypropylamino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[4-(3-methoxypropylcarbamoyl)phenyl]carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-keto-4-[[4-(3-methoxypropylcarbamoyl)phenyl]thiocarbamoylamino]but-2-enoic acid ethyl ester Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O5S/c1-3-26-16(23)10-9-15(22)21-18(27)20-14-7-5-13(6-8-14)17(24)19-11-4-12-25-2/h5-10H,3-4,11-12H2,1-2H3,(H,19,24)(H2,20,21,22,27)/b10-9+