ethyl 5-methoxy-3-[(4-pyridin-2-ylpiperazin-1-yl)carbothioylamino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-methoxy-3-[(4-pyridin-2-ylpiperazin-1-yl)carbothioylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 5-methoxy-3-[[4-(2-pyridyl)piperazine-1-carbothioyl]amino]-1H-indole-2-carboxylate CAS Name: 5-methoxy-3-[[[4-(2-pyridinyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methoxy-3-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]-1H-indole-2-carboxylate Traditional Name: 5-methoxy-3-[[4-(2-pyridyl)piperazine-1-carbothioyl]amino]-1H-indole-2-carboxylic acid ethyl ester Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=S)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=S)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C22H25N5O3S/c1-3-30-21(28)20-19(16-14-15(29-2)7-8-17(16)24-20)25-22(31)27-12-10-26(11-13-27)18-6-4-5-9-23-18/h4-9,14,24H,3,10-13H2,1-2H3,(H,25,31)