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

Systemtic Name: 1-[(1-methyl-4-piperidin-1-ylsulfonyl-pyrrol-2-yl)carbonylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[[1-methyl-4-(1-piperidylsulfonyl)pyrrole-2-carbonyl]amino]thiourea CAS Name: 1-[[[1-methyl-4-(1-piperidinylsulfonyl)-2-pyrrolyl]-oxomethyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)amino]thiourea Traditional Name: 1-benzyl-3-[(1-methyl-4-piperidinosulfonyl-pyrrole-2-carbonyl)amino]thiourea Formula: C19H25N5O3S2 MolecularWeight: 435.5635

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NNC(=S)NCC2=CC=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CN1C=C(C=C1C(=O)NNC(=S)NCC2=CC=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H25N5O3S2/c1-23-14-16(29(26,27)24-10-6-3-7-11-24)12-17(23)18(25)21-22-19(28)20-13-15-8-4-2-5-9-15/h2,4-5,8-9,12,14H,3,6-7,10-11,13H2,1H3,(H,21,25)(H2,20,22,28)