1-[(4-octoxyphenyl)methylideneamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[(4-octoxyphenyl)methylideneamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[(4-octoxyphenyl)methyleneamino]thiourea CAS Name: 1-[(4-octoxyphenyl)methylideneamino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[(4-octoxyphenyl)methylideneamino]thiourea Traditional Name: 1-benzyl-3-[(4-octoxybenzylidene)amino]thiourea Formula: C23H31N3OS MolecularWeight: 397.57674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C=NNC(=S)NCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C=NNC(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C23H31N3OS/c1-2-3-4-5-6-10-17-27-22-15-13-21(14-16-22)19-25-26-23(28)24-18-20-11-8-7-9-12-20/h7-9,11-16,19H,2-6,10,17-18H2,1H3,(H2,24,26,28)