ethyl 3-[(4-nitrophenyl)carbamothioylamino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[(4-nitrophenyl)carbamothioylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 3-[(4-nitrophenyl)carbamothioylamino]-1H-indole-2-carboxylate CAS Name: 3-[[(4-nitroanilino)-sulfanylidenemethyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-nitrophenyl)carbamothioylamino]-1H-indole-2-carboxylate Traditional Name: 3-[(4-nitrophenyl)thiocarbamoylamino]-1H-indole-2-carboxylic acid ethyl ester Formula: C18H16N4O4S MolecularWeight: 384.40904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N1)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N1)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O4S/c1-2-26-17(23)16-15(13-5-3-4-6-14(13)20-16)21-18(27)19-11-7-9-12(10-8-11)22(24)25/h3-10,20H,2H2,1H3,(H2,19,21,27)