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

Systemtic Name: 3-(4-methylpiperazin-1-yl)propyl 2-azanyl-3-cyano-5-phenylsulfanyl-indole-1-carboxylate Openeye Name: 3-(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 3-(4-methyl-1-piperazinyl)propyl ester IUPAC Name: 3-(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 3-(4-methylpiperazino)propyl ester Formula: C24H27N5O2S MolecularWeight: 449.56848

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCOC(=O)N2C3=C(C=C(C=C3)SC4=CC=CC=C4)C(=C2N)C#N

Isomeric SMILES

CN1CCN(CC1)CCCOC(=O)N2C3=C(C=C(C=C3)SC4=CC=CC=C4)C(=C2N)C#N

InChI

InChI=1S/C24H27N5O2S/c1-27-11-13-28(14-12-27)10-5-15-31-24(30)29-22-9-8-19(32-18-6-3-2-4-7-18)16-20(22)21(17-25)23(29)26/h2-4,6-9,16H,5,10-15,26H2,1H3