ethyl 5-chloranyl-3-[(phenylmethyl)carbamothioylamino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-chloranyl-3-[(phenylmethyl)carbamothioylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 3-(benzylcarbamothioylamino)-5-chloro-1H-indole-2-carboxylate CAS Name: 5-chloro-3-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(benzylcarbamothioylamino)-5-chloro-1H-indole-2-carboxylate Traditional Name: 3-(benzylthiocarbamoylamino)-5-chloro-1H-indole-2-carboxylic acid ethyl ester Formula: C19H18ClN3O2S MolecularWeight: 387.88312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)NC(=S)NCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)NC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C19H18ClN3O2S/c1-2-25-18(24)17-16(14-10-13(20)8-9-15(14)22-17)23-19(26)21-11-12-6-4-3-5-7-12/h3-10,22H,2,11H2,1H3,(H2,21,23,26)