1-[[1-(2-cyanophenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-(3,4-dimethylphenyl)thiourea

Systemtic Name: 1-[[1-(2-cyanophenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-(3,4-dimethylphenyl)thiourea Openeye Name: 1-[[1-(2-cyanophenyl)sulfonylpiperidine-4-carbonyl]amino]-3-(3,4-dimethylphenyl)thiourea CAS Name: 1-[[[1-(2-cyanophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-3-(3,4-dimethylphenyl)thiourea IUPAC Name: 1-[[1-(2-cyanophenyl)sulfonylpiperidine-4-carbonyl]amino]-3-(3,4-dimethylphenyl)thiourea Traditional Name: 1-[[1-(2-cyanophenyl)sulfonylisonipecotoyl]amino]-3-(3,4-dimethylphenyl)thiourea Formula: C22H25N5O3S2 MolecularWeight: 471.5956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C

InChI

InChI=1S/C22H25N5O3S2/c1-15-7-8-19(13-16(15)2)24-22(31)26-25-21(28)17-9-11-27(12-10-17)32(29,30)20-6-4-3-5-18(20)14-23/h3-8,13,17H,9-12H2,1-2H3,(H,25,28)(H2,24,26,31)