ethyl (E)-2-[(carbamothioylamino)carbamoyl]-3-[(4-chlorophenyl)carbamothioylamino]prop-2-enoate

Systemtic Name: ethyl (E)-2-[(carbamothioylamino)carbamoyl]-3-[(4-chlorophenyl)carbamothioylamino]prop-2-enoate Openeye Name: ethyl (E)-2-[(carbamothioylamino)carbamoyl]-3-[(4-chlorophenyl)carbamothioylamino]prop-2-enoate CAS Name: (E)-2-[(carbamothioylhydrazo)-oxomethyl]-3-[[(4-chloroanilino)-sulfanylidenemethyl]amino]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-[(carbamothioylamino)carbamoyl]-3-[(4-chlorophenyl)carbamothioylamino]prop-2-enoate Traditional Name: (E)-3-[(4-chlorophenyl)thiocarbamoylamino]-2-(thioureidocarbamoyl)acrylic acid ethyl ester Formula: C14H16ClN5O3S2 MolecularWeight: 401.89154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC(=S)NC1=CC=C(C=C1)Cl)C(=O)NNC(=S)N

Isomeric SMILES

CCOC(=O)/C(=C/NC(=S)NC1=CC=C(C=C1)Cl)/C(=O)NNC(=S)N

InChI

InChI=1S/C14H16ClN5O3S2/c1-2-23-12(22)10(11(21)19-20-13(16)24)7-17-14(25)18-9-5-3-8(15)4-6-9/h3-7H,2H2,1H3,(H,19,21)(H3,16,20,24)(H2,17,18,25)/b10-7+