1-[[4-chloranyl-2-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonylamino]-3-[(2S)-2-methylheptyl]thiourea

Systemtic Name: 1-[[4-chloranyl-2-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonylamino]-3-[(2S)-2-methylheptyl]thiourea Openeye Name: 1-[[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-[(2S)-2-methylheptyl]thiourea CAS Name: 1-[[[4-chloro-2-(2-oxo-1-pyrrolidinyl)phenyl]-oxomethyl]amino]-3-[(2S)-2-methylheptyl]thiourea IUPAC Name: 1-[[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-[(2S)-2-methylheptyl]thiourea Traditional Name: 1-[[4-chloro-2-(2-ketopyrrolidino)benzoyl]amino]-3-[(2S)-2-methylheptyl]thiourea Formula: C20H29ClN4O2S MolecularWeight: 424.98786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)CNC(=S)NNC(=O)C1=C(C=C(C=C1)Cl)N2CCCC2=O

Isomeric SMILES

CCCCC[C@H](C)CNC(=S)NNC(=O)C1=C(C=C(C=C1)Cl)N2CCCC2=O

InChI

InChI=1S/C20H29ClN4O2S/c1-3-4-5-7-14(2)13-22-20(28)24-23-19(27)16-10-9-15(21)12-17(16)25-11-6-8-18(25)26/h9-10,12,14H,3-8,11,13H2,1-2H3,(H,23,27)(H2,22,24,28)/t14-/m0/s1