1-(4-methylpiperazin-1-yl)propyl 2-azanyl-3-cyano-5-phenylsulfanyl-indole-1-carboxylate

Systemtic Name: 1-(4-methylpiperazin-1-yl)propyl 2-azanyl-3-cyano-5-phenylsulfanyl-indole-1-carboxylate Openeye Name: 1-(4-methylpiperazin-1-yl)propyl 2-amino-3-cyano-5-phenylsulfanyl-indole-1-carboxylate CAS Name: 2-amino-3-cyano-5-(phenylthio)-1-indolecarboxylic acid 1-(4-methyl-1-piperazinyl)propyl ester IUPAC Name: 1-(4-methylpiperazin-1-yl)propyl 2-amino-3-cyano-5-phenylsulfanylindole-1-carboxylate Traditional Name: 2-amino-3-cyano-5-(phenylthio)indole-1-carboxylic acid 1-(4-methylpiperazino)propyl ester Formula: C24H27N5O2S MolecularWeight: 449.56848

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Descriptors Computed from Structure

Canonical SMILES:

CCC(N1CCN(CC1)C)OC(=O)N2C3=C(C=C(C=C3)SC4=CC=CC=C4)C(=C2N)C#N

Isomeric SMILES

CCC(N1CCN(CC1)C)OC(=O)N2C3=C(C=C(C=C3)SC4=CC=CC=C4)C(=C2N)C#N

InChI

InChI=1S/C24H27N5O2S/c1-3-22(28-13-11-27(2)12-14-28)31-24(30)29-21-10-9-18(32-17-7-5-4-6-8-17)15-19(21)20(16-25)23(29)26/h4-10,15,22H,3,11-14,26H2,1-2H3