1-(3-chloranyl-2-methyl-phenyl)-3-[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]thiourea

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-[[2-[methyl(p-tolylsulfonyl)amino]acetyl]amino]thiourea CAS Name: 1-(3-chloro-2-methylphenyl)-3-[[2-[methyl-(4-methylphenyl)sulfonylamino]-1-oxoethyl]amino]thiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]thiourea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-[[2-[methyl(tosyl)amino]acetyl]amino]thiourea Formula: C18H21ClN4O3S2 MolecularWeight: 440.96734

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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=C(C(=CC=C2)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN4O3S2/c1-12-7-9-14(10-8-12)28(25,26)23(3)11-17(24)21-22-18(27)20-16-6-4-5-15(19)13(16)2/h4-10H,11H2,1-3H3,(H,21,24)(H2,20,22,27)