1-(4-methoxyphenyl)-3-[[(2S)-2-methylheptyl]carbamothioylamino]thiourea

Systemtic Name: 1-(4-methoxyphenyl)-3-[[(2S)-2-methylheptyl]carbamothioylamino]thiourea Openeye Name: 1-(4-methoxyphenyl)-3-[[(2S)-2-methylheptyl]carbamothioylamino]thiourea CAS Name: 1-[[(4-methoxyanilino)-sulfanylidenemethyl]amino]-3-[(2S)-2-methylheptyl]thiourea IUPAC Name: 1-(4-methoxyphenyl)-3-[[(2S)-2-methylheptyl]carbamothioylamino]thiourea Traditional Name: 1-(4-methoxyphenyl)-3-[[(2S)-2-methylheptyl]thiocarbamoylamino]thiourea Formula: C17H28N4OS2 MolecularWeight: 368.56042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)CNC(=S)NNC(=S)NC1=CC=C(C=C1)OC

Isomeric SMILES

CCCCC[C@H](C)CNC(=S)NNC(=S)NC1=CC=C(C=C1)OC

InChI

InChI=1S/C17H28N4OS2/c1-4-5-6-7-13(2)12-18-16(23)20-21-17(24)19-14-8-10-15(22-3)11-9-14/h8-11,13H,4-7,12H2,1-3H3,(H2,18,20,23)(H2,19,21,24)/t13-/m0/s1