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

Systemtic Name: 1-(2,4-dichlorophenyl)-3-[(1-methyl-4-piperidin-1-ylsulfonyl-pyrrol-2-yl)carbonylamino]thiourea Openeye Name: 1-(2,4-dichlorophenyl)-3-[[1-methyl-4-(1-piperidylsulfonyl)pyrrole-2-carbonyl]amino]thiourea CAS Name: 1-(2,4-dichlorophenyl)-3-[[[1-methyl-4-(1-piperidinylsulfonyl)-2-pyrrolyl]-oxomethyl]amino]thiourea IUPAC Name: 1-(2,4-dichlorophenyl)-3-[(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)amino]thiourea Traditional Name: 1-(2,4-dichlorophenyl)-3-[(1-methyl-4-piperidinosulfonyl-pyrrole-2-carbonyl)amino]thiourea Formula: C18H21Cl2N5O3S2 MolecularWeight: 490.42704

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NNC(=S)NC2=C(C=C(C=C2)Cl)Cl)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CN1C=C(C=C1C(=O)NNC(=S)NC2=C(C=C(C=C2)Cl)Cl)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C18H21Cl2N5O3S2/c1-24-11-13(30(27,28)25-7-3-2-4-8-25)10-16(24)17(26)22-23-18(29)21-15-6-5-12(19)9-14(15)20/h5-6,9-11H,2-4,7-8H2,1H3,(H,22,26)(H2,21,23,29)