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

Systemtic Name: 1-[(2S)-2-methylheptyl]-3-[2-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethanoylamino]thiourea Openeye Name: 1-[(2S)-2-methylheptyl]-3-[[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]thiourea CAS Name: 1-[(2S)-2-methylheptyl]-3-[[1-oxo-2-[4-(2-oxo-1-pyrrolidinyl)phenyl]ethyl]amino]thiourea IUPAC Name: 1-[(2S)-2-methylheptyl]-3-[[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]thiourea Traditional Name: 1-[[2-[4-(2-ketopyrrolidino)phenyl]acetyl]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)CC1=CC=C(C=C1)N2CCCC2=O

Isomeric SMILES

CCCCC[C@H](C)CNC(=S)NNC(=O)CC1=CC=C(C=C1)N2CCCC2=O

InChI

InChI=1S/C21H32N4O2S/c1-3-4-5-7-16(2)15-22-21(28)24-23-19(26)14-17-9-11-18(12-10-17)25-13-6-8-20(25)27/h9-12,16H,3-8,13-15H2,1-2H3,(H,23,26)(H2,22,24,28)/t16-/m0/s1