1-tert-butyl-3-[(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]thiourea

Systemtic Name: 1-tert-butyl-3-[(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]thiourea Openeye Name: 1-tert-butyl-3-[(4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoyl)amino]thiourea CAS Name: 1-tert-butyl-3-[[[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]thiourea IUPAC Name: 1-tert-butyl-3-[(4-chloro-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiourea Traditional Name: 1-tert-butyl-3-[(4-chloro-3-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=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCC2

Isomeric SMILES

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

InChI

InChI=1S/C16H23ClN4O3S2/c1-16(2,3)18-15(25)20-19-14(22)11-6-7-12(17)13(10-11)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)