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

Systemtic Name: 1-[(2S)-2-methylheptyl]-3-[[3-[(2-oxidanylidenepyrrolidin-1-yl)methyl]phenyl]carbonylamino]thiourea Openeye Name: 1-[(2S)-2-methylheptyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]thiourea CAS Name: 1-[(2S)-2-methylheptyl]-3-[[oxo-[3-[(2-oxo-1-pyrrolidinyl)methyl]phenyl]methyl]amino]thiourea IUPAC Name: 1-[(2S)-2-methylheptyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]thiourea Traditional Name: 1-[[3-[(2-ketopyrrolidino)methyl]benzoyl]amino]-3-[(2S)-2-methylheptyl]thiourea Formula: C21H32N4O2S MolecularWeight: 404.56938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)CNC(=S)NNC(=O)C1=CC(=CC=C1)CN2CCCC2=O

Isomeric SMILES

CCCCC[C@H](C)CNC(=S)NNC(=O)C1=CC(=CC=C1)CN2CCCC2=O

InChI

InChI=1S/C21H32N4O2S/c1-3-4-5-8-16(2)14-22-21(28)24-23-20(27)18-10-6-9-17(13-18)15-25-12-7-11-19(25)26/h6,9-10,13,16H,3-5,7-8,11-12,14-15H2,1-2H3,(H,23,27)(H2,22,24,28)/t16-/m0/s1