ethyl 3-[(3-bromophenyl)carbamothioylamino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[(3-bromophenyl)carbamothioylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 3-[(3-bromophenyl)carbamothioylamino]-1H-indole-2-carboxylate CAS Name: 3-[[(3-bromoanilino)-sulfanylidenemethyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(3-bromophenyl)carbamothioylamino]-1H-indole-2-carboxylate Traditional Name: 3-[(3-bromophenyl)thiocarbamoylamino]-1H-indole-2-carboxylic acid ethyl ester Formula: C18H16BrN3O2S MolecularWeight: 418.30754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N1)NC(=S)NC3=CC(=CC=C3)Br

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N1)NC(=S)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C18H16BrN3O2S/c1-2-24-17(23)16-15(13-8-3-4-9-14(13)21-16)22-18(25)20-12-7-5-6-11(19)10-12/h3-10,21H,2H2,1H3,(H2,20,22,25)