ethyl (E)-4-oxidanylidene-4-[[[4-oxidanylidene-4-[(phenylmethyl)amino]butanoyl]amino]carbamothioylamino]but-2-enoate

Systemtic Name: ethyl (E)-4-oxidanylidene-4-[[[4-oxidanylidene-4-[(phenylmethyl)amino]butanoyl]amino]carbamothioylamino]but-2-enoate Openeye Name: ethyl (E)-4-[[[4-(benzylamino)-4-oxo-butanoyl]amino]carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[[1,4-dioxo-4-[(phenylmethyl)amino]butyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[[4-(benzylamino)-4-oxobutanoyl]amino]carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[[[4-(benzylamino)-4-keto-butanoyl]amino]thiocarbamoylamino]-4-keto-but-2-enoic acid ethyl ester Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)NNC(=O)CCC(=O)NCC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NNC(=O)CCC(=O)NCC1=CC=CC=C1

InChI

InChI=1S/C18H22N4O5S/c1-2-27-17(26)11-10-15(24)20-18(28)22-21-16(25)9-8-14(23)19-12-13-6-4-3-5-7-13/h3-7,10-11H,2,8-9,12H2,1H3,(H,19,23)(H,21,25)(H2,20,22,24,28)/b11-10+