methyl 5-bromanyl-3-[(phenylmethyl)carbamothioylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 5-bromanyl-3-[(phenylmethyl)carbamothioylamino]-1H-indole-2-carboxylate Openeye Name: methyl 3-(benzylcarbamothioylamino)-5-bromo-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-(benzylcarbamothioylamino)-5-bromo-1H-indole-2-carboxylate Traditional Name: 3-(benzylthiocarbamoylamino)-5-bromo-1H-indole-2-carboxylic acid methyl ester Formula: C18H16BrN3O2S MolecularWeight: 418.30754

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=S)NCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C18H16BrN3O2S/c1-24-17(23)16-15(13-9-12(19)7-8-14(13)21-16)22-18(25)20-10-11-5-3-2-4-6-11/h2-9,21H,10H2,1H3,(H2,20,22,25)