1-tert-butyl-3-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]thiourea

Systemtic Name: 1-tert-butyl-3-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]thiourea Openeye Name: 1-tert-butyl-3-[(2-chloro-5-pyrrolidin-1-ylsulfonyl-benzoyl)amino]thiourea CAS Name: 1-tert-butyl-3-[[[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]thiourea IUPAC Name: 1-tert-butyl-3-[(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiourea Traditional Name: 1-tert-butyl-3-[(2-chloro-5-pyrrolidinosulfonyl-benzoyl)amino]thiourea Formula: C16H23ClN4O3S2 MolecularWeight: 418.96182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)NNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)Cl

Isomeric SMILES

CC(C)(C)NC(=S)NNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)Cl

InChI

InChI=1S/C16H23ClN4O3S2/c1-16(2,3)18-15(25)20-19-14(22)12-10-11(6-7-13(12)17)26(23,24)21-8-4-5-9-21/h6-7,10H,4-5,8-9H2,1-3H3,(H,19,22)(H2,18,20,25)