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

Systemtic Name: ethyl 3-[(4-ethoxycarbonylpiperazin-1-yl)carbothioylamino]-5-methoxy-1H-indole-2-carboxylate Openeye Name: ethyl 3-[(4-ethoxycarbonylpiperazine-1-carbothioyl)amino]-5-methoxy-1H-indole-2-carboxylate CAS Name: 3-[[(4-ethoxycarbonyl-1-piperazinyl)-sulfanylidenemethyl]amino]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-ethoxycarbonylpiperazine-1-carbothioyl)amino]-5-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[(4-carbethoxypiperazine-1-carbothioyl)amino]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester Formula: C20H26N4O5S MolecularWeight: 434.50924

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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)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O5S/c1-4-28-18(25)17-16(14-12-13(27-3)6-7-15(14)21-17)22-19(30)23-8-10-24(11-9-23)20(26)29-5-2/h6-7,12,21H,4-5,8-11H2,1-3H3,(H,22,30)