1-(3-chloranyl-2-methyl-phenyl)-3-[(1-methyl-4-piperidin-1-ylsulfonyl-pyrrol-2-yl)carbonylamino]thiourea

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-[(1-methyl-4-piperidin-1-ylsulfonyl-pyrrol-2-yl)carbonylamino]thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-[[1-methyl-4-(1-piperidylsulfonyl)pyrrole-2-carbonyl]amino]thiourea CAS Name: 1-(3-chloro-2-methylphenyl)-3-[[[1-methyl-4-(1-piperidinylsulfonyl)-2-pyrrolyl]-oxomethyl]amino]thiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-[(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)amino]thiourea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-[(1-methyl-4-piperidinosulfonyl-pyrrole-2-carbonyl)amino]thiourea Formula: C19H24ClN5O3S2 MolecularWeight: 470.00856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NNC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NNC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H24ClN5O3S2/c1-13-15(20)7-6-8-16(13)21-19(29)23-22-18(26)17-11-14(12-24(17)2)30(27,28)25-9-4-3-5-10-25/h6-8,11-12H,3-5,9-10H2,1-2H3,(H,22,26)(H2,21,23,29)