1-(3-methylphenyl)-3-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]thiourea

Systemtic Name: 1-(3-methylphenyl)-3-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]thiourea Openeye Name: 1-[2-(4-methylpiperazin-1-yl)-5-morpholinosulfonyl-phenyl]-3-(m-tolyl)thiourea CAS Name: 1-(3-methylphenyl)-3-[2-(4-methyl-1-piperazinyl)-5-(4-morpholinylsulfonyl)phenyl]thiourea IUPAC Name: 1-(3-methylphenyl)-3-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]thiourea Traditional Name: 1-[2-(4-methylpiperazino)-5-morpholinosulfonyl-phenyl]-3-(m-tolyl)thiourea Formula: C23H31N5O3S2 MolecularWeight: 489.65394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCN(CC4)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCN(CC4)C

InChI

InChI=1S/C23H31N5O3S2/c1-18-4-3-5-19(16-18)24-23(32)25-21-17-20(33(29,30)28-12-14-31-15-13-28)6-7-22(21)27-10-8-26(2)9-11-27/h3-7,16-17H,8-15H2,1-2H3,(H2,24,25,32)