ethyl 3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]carbothioylamino]-5-methoxy-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]carbothioylamino]-5-methoxy-1H-indole-2-carboxylate Openeye Name: ethyl 3-[[4-(2,3-dimethylphenyl)piperazine-1-carbothioyl]amino]-5-methoxy-1H-indole-2-carboxylate CAS Name: 3-[[[4-(2,3-dimethylphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-(2,3-dimethylphenyl)piperazine-1-carbothioyl]amino]-5-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[[4-(2,3-dimethylphenyl)piperazine-1-carbothioyl]amino]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester Formula: C25H30N4O3S MolecularWeight: 466.5957

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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(=C4C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=S)N3CCN(CC3)C4=CC=CC(=C4C)C

InChI

InChI=1S/C25H30N4O3S/c1-5-32-24(30)23-22(19-15-18(31-4)9-10-20(19)26-23)27-25(33)29-13-11-28(12-14-29)21-8-6-7-16(2)17(21)3/h6-10,15,26H,5,11-14H2,1-4H3,(H,27,33)