1-[(4-butoxyphenyl)methyl]-3-[(E)-(3-nitrophenyl)methylideneamino]thiourea

Systemtic Name: 1-[(4-butoxyphenyl)methyl]-3-[(E)-(3-nitrophenyl)methylideneamino]thiourea Openeye Name: 1-[(4-butoxyphenyl)methyl]-3-[(E)-(3-nitrophenyl)methyleneamino]thiourea CAS Name: 1-[(4-butoxyphenyl)methyl]-3-[(E)-(3-nitrophenyl)methylideneamino]thiourea IUPAC Name: 1-[(4-butoxyphenyl)methyl]-3-[(E)-(3-nitrophenyl)methylideneamino]thiourea Traditional Name: 1-(4-butoxybenzyl)-3-[(E)-(3-nitrobenzylidene)amino]thiourea Formula: C19H22N4O3S MolecularWeight: 386.46798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CNC(=S)NN=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CNC(=S)N/N=C/C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O3S/c1-2-3-11-26-18-9-7-15(8-10-18)13-20-19(27)22-21-14-16-5-4-6-17(12-16)23(24)25/h4-10,12,14H,2-3,11,13H2,1H3,(H2,20,22,27)/b21-14+