1-[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea

Systemtic Name: 1-[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea Openeye Name: 1-[[2-[methyl(p-tolylsulfonyl)amino]acetyl]amino]-3-(4-morpholinosulfonylphenyl)thiourea CAS Name: 1-[[2-[methyl-(4-methylphenyl)sulfonylamino]-1-oxoethyl]amino]-3-[4-(4-morpholinylsulfonyl)phenyl]thiourea IUPAC Name: 1-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea Traditional Name: 1-[[2-[methyl(tosyl)amino]acetyl]amino]-3-(4-morpholinosulfonylphenyl)thiourea Formula: C21H27N5O6S3 MolecularWeight: 541.66398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H27N5O6S3/c1-16-3-7-18(8-4-16)34(28,29)25(2)15-20(27)23-24-21(33)22-17-5-9-19(10-6-17)35(30,31)26-11-13-32-14-12-26/h3-10H,11-15H2,1-2H3,(H,23,27)(H2,22,24,33)