3-(4-methylpiperazin-1-yl)propyl N-(3-cyano-5-phenylsulfanyl-1H-indol-2-yl)carbamate

Systemtic Name: 3-(4-methylpiperazin-1-yl)propyl N-(3-cyano-5-phenylsulfanyl-1H-indol-2-yl)carbamate Openeye Name: 3-(4-methylpiperazin-1-yl)propyl N-(3-cyano-5-phenylsulfanyl-1H-indol-2-yl)carbamate CAS Name: N-[3-cyano-5-(phenylthio)-1H-indol-2-yl]carbamic acid 3-(4-methyl-1-piperazinyl)propyl ester IUPAC Name: 3-(4-methylpiperazin-1-yl)propyl N-(3-cyano-5-phenylsulfanyl-1H-indol-2-yl)carbamate Traditional Name: N-[3-cyano-5-(phenylthio)-1H-indol-2-yl]carbamic 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)NC2=C(C3=C(N2)C=CC(=C3)SC4=CC=CC=C4)C#N

Isomeric SMILES

CN1CCN(CC1)CCCOC(=O)NC2=C(C3=C(N2)C=CC(=C3)SC4=CC=CC=C4)C#N

InChI

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