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

Systemtic Name: 1-(3-methoxyphenyl)-3-[(1-methyl-4-piperidin-1-ylsulfonyl-pyrrol-2-yl)carbonylamino]thiourea Openeye Name: 1-(3-methoxyphenyl)-3-[[1-methyl-4-(1-piperidylsulfonyl)pyrrole-2-carbonyl]amino]thiourea CAS Name: 1-(3-methoxyphenyl)-3-[[[1-methyl-4-(1-piperidinylsulfonyl)-2-pyrrolyl]-oxomethyl]amino]thiourea IUPAC Name: 1-(3-methoxyphenyl)-3-[(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)amino]thiourea Traditional Name: 1-(3-methoxyphenyl)-3-[(1-methyl-4-piperidinosulfonyl-pyrrole-2-carbonyl)amino]thiourea Formula: C19H25N5O4S2 MolecularWeight: 451.5629

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O4S2/c1-23-13-16(30(26,27)24-9-4-3-5-10-24)12-17(23)18(25)21-22-19(29)20-14-7-6-8-15(11-14)28-2/h6-8,11-13H,3-5,9-10H2,1-2H3,(H,21,25)(H2,20,22,29)