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

Systemtic Name: ethyl 5-methoxy-3-[(4-phenylpiperazin-1-yl)carbothioylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 5-methoxy-3-[(4-phenylpiperazine-1-carbothioyl)amino]-1H-indole-2-carboxylate CAS Name: 5-methoxy-3-[[(4-phenyl-1-piperazinyl)-sulfanylidenemethyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methoxy-3-[(4-phenylpiperazine-1-carbothioyl)amino]-1H-indole-2-carboxylate Traditional Name: 5-methoxy-3-[(4-phenylpiperazine-1-carbothioyl)amino]-1H-indole-2-carboxylic acid ethyl ester Formula: C23H26N4O3S MolecularWeight: 438.54254

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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=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O3S/c1-3-30-22(28)21-20(18-15-17(29-2)9-10-19(18)24-21)25-23(31)27-13-11-26(12-14-27)16-7-5-4-6-8-16/h4-10,15,24H,3,11-14H2,1-2H3,(H,25,31)