1-[4-[(2S)-butan-2-yl]phenyl]-3-[2-(phenylmethylsulfanyl)ethanoylamino]thiourea

Systemtic Name: 1-[4-[(2S)-butan-2-yl]phenyl]-3-[2-(phenylmethylsulfanyl)ethanoylamino]thiourea Openeye Name: 1-[(2-benzylsulfanylacetyl)amino]-3-[4-[(1S)-1-methylpropyl]phenyl]thiourea CAS Name: 1-[4-[(2S)-butan-2-yl]phenyl]-3-[[1-oxo-2-(phenylmethylthio)ethyl]amino]thiourea IUPAC Name: 1-[(2-benzylsulfanylacetyl)amino]-3-[4-[(2S)-butan-2-yl]phenyl]thiourea Traditional Name: 1-[[2-(benzylthio)acetyl]amino]-3-[4-[(1S)-1-methylpropyl]phenyl]thiourea Formula: C20H25N3OS2 MolecularWeight: 387.562

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=S)NNC(=O)CSCC2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)NC(=S)NNC(=O)CSCC2=CC=CC=C2

InChI

InChI=1S/C20H25N3OS2/c1-3-15(2)17-9-11-18(12-10-17)21-20(25)23-22-19(24)14-26-13-16-7-5-4-6-8-16/h4-12,15H,3,13-14H2,1-2H3,(H,22,24)(H2,21,23,25)/t15-/m0/s1