1-[[1-(2-chloranylpyridin-3-yl)sulfonylpiperidin-4-yl]carbonylamino]-3-(2-methylphenyl)thiourea

Systemtic Name: 1-[[1-(2-chloranylpyridin-3-yl)sulfonylpiperidin-4-yl]carbonylamino]-3-(2-methylphenyl)thiourea Openeye Name: 1-[[1-[(2-chloro-3-pyridyl)sulfonyl]piperidine-4-carbonyl]amino]-3-(o-tolyl)thiourea CAS Name: 1-[[[1-[(2-chloro-3-pyridinyl)sulfonyl]-4-piperidinyl]-oxomethyl]amino]-3-(2-methylphenyl)thiourea IUPAC Name: 1-[[1-(2-chloropyridin-3-yl)sulfonylpiperidine-4-carbonyl]amino]-3-(2-methylphenyl)thiourea Traditional Name: 1-[[1-[(2-chloro-3-pyridyl)sulfonyl]isonipecotoyl]amino]-3-(o-tolyl)thiourea Formula: C19H22ClN5O3S2 MolecularWeight: 467.99268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NNC(=O)C2CCN(CC2)S(=O)(=O)C3=C(N=CC=C3)Cl

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NNC(=O)C2CCN(CC2)S(=O)(=O)C3=C(N=CC=C3)Cl

InChI

InChI=1S/C19H22ClN5O3S2/c1-13-5-2-3-6-15(13)22-19(29)24-23-18(26)14-8-11-25(12-9-14)30(27,28)16-7-4-10-21-17(16)20/h2-7,10,14H,8-9,11-12H2,1H3,(H,23,26)(H2,22,24,29)