ethyl 3-[(E)-(carbamothioylhydrazinylidene)methyl]-1-(3-chlorophenyl)carbonyl-indole-2-carboxylate

Systemtic Name: ethyl 3-[(E)-(carbamothioylhydrazinylidene)methyl]-1-(3-chlorophenyl)carbonyl-indole-2-carboxylate Openeye Name: ethyl 3-[(E)-(carbamothioylhydrazono)methyl]-1-(3-chlorobenzoyl)indole-2-carboxylate CAS Name: 3-[(E)-(carbamothioylhydrazinylidene)methyl]-1-[(3-chlorophenyl)-oxomethyl]-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(E)-(carbamothioylhydrazinylidene)methyl]-1-(3-chlorobenzoyl)indole-2-carboxylate Traditional Name: 1-(3-chlorobenzoyl)-3-[(E)-(thiocarbamoylhydrazono)methyl]indole-2-carboxylic acid ethyl ester Formula: C20H17ClN4O3S MolecularWeight: 428.89198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N1C(=O)C3=CC(=CC=C3)Cl)C=NNC(=S)N

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N1C(=O)C3=CC(=CC=C3)Cl)/C=N/NC(=S)N

InChI

InChI=1S/C20H17ClN4O3S/c1-2-28-19(27)17-15(11-23-24-20(22)29)14-8-3-4-9-16(14)25(17)18(26)12-6-5-7-13(21)10-12/h3-11H,2H2,1H3,(H3,22,24,29)/b23-11+