1-(3-methoxyphenyl)-3-[[(2S)-6-methylheptan-2-yl]carbamothioylamino]thiourea

Systemtic Name: 1-(3-methoxyphenyl)-3-[[(2S)-6-methylheptan-2-yl]carbamothioylamino]thiourea Openeye Name: 1-[(1S)-1,5-dimethylhexyl]-3-[(3-methoxyphenyl)carbamothioylamino]thiourea CAS Name: 1-[[(3-methoxyanilino)-sulfanylidenemethyl]amino]-3-[(2S)-6-methylheptan-2-yl]thiourea IUPAC Name: 1-(3-methoxyphenyl)-3-[[(2S)-6-methylheptan-2-yl]carbamothioylamino]thiourea Traditional Name: 1-[(1S)-1,5-dimethylhexyl]-3-[(3-methoxyphenyl)thiocarbamoylamino]thiourea Formula: C17H28N4OS2 MolecularWeight: 368.56042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=S)NNC(=S)NC1=CC(=CC=C1)OC

Isomeric SMILES

C[C@@H](CCCC(C)C)NC(=S)NNC(=S)NC1=CC(=CC=C1)OC

InChI

InChI=1S/C17H28N4OS2/c1-12(2)7-5-8-13(3)18-16(23)20-21-17(24)19-14-9-6-10-15(11-14)22-4/h6,9-13H,5,7-8H2,1-4H3,(H2,18,20,23)(H2,19,21,24)/t13-/m0/s1