1-[(5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)carbonylamino]-3-propan-2-yl-thiourea

Systemtic Name: 1-[(5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)carbonylamino]-3-propan-2-yl-thiourea Openeye Name: 1-isopropyl-3-[[5-(1-piperidylsulfonyl)-2-pyrrolidin-1-yl-benzoyl]amino]thiourea CAS Name: 1-[[oxo-[5-(1-piperidinylsulfonyl)-2-(1-pyrrolidinyl)phenyl]methyl]amino]-3-propan-2-ylthiourea IUPAC Name: 1-[(5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzoyl)amino]-3-propan-2-ylthiourea Traditional Name: 1-isopropyl-3-[(5-piperidinosulfonyl-2-pyrrolidino-benzoyl)amino]thiourea Formula: C20H31N5O3S2 MolecularWeight: 453.62184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)NNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CCCC3

Isomeric SMILES

CC(C)NC(=S)NNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CCCC3

InChI

InChI=1S/C20H31N5O3S2/c1-15(2)21-20(29)23-22-19(26)17-14-16(8-9-18(17)24-10-6-7-11-24)30(27,28)25-12-4-3-5-13-25/h8-9,14-15H,3-7,10-13H2,1-2H3,(H,22,26)(H2,21,23,29)