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

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-3-[[(2S)-2-methylheptyl]carbamothioylamino]thiourea Openeye Name: 1-[(4-methoxyphenyl)methyl]-3-[[(2S)-2-methylheptyl]carbamothioylamino]thiourea CAS Name: 1-[(4-methoxyphenyl)methyl]-3-[[[[(2S)-2-methylheptyl]amino]-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-[(4-methoxyphenyl)methyl]-3-[[(2S)-2-methylheptyl]carbamothioylamino]thiourea Traditional Name: 1-[(2S)-2-methylheptyl]-3-(p-anisylthiocarbamoylamino)thiourea Formula: C18H30N4OS2 MolecularWeight: 382.587

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)CNC(=S)NNC(=S)NCC1=CC=C(C=C1)OC

Isomeric SMILES

CCCCC[C@H](C)CNC(=S)NNC(=S)NCC1=CC=C(C=C1)OC

InChI

InChI=1S/C18H30N4OS2/c1-4-5-6-7-14(2)12-19-17(24)21-22-18(25)20-13-15-8-10-16(23-3)11-9-15/h8-11,14H,4-7,12-13H2,1-3H3,(H2,19,21,24)(H2,20,22,25)/t14-/m0/s1