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

Systemtic Name: 1-[(4-butoxyphenyl)methyl]-3-[(E)-(3,4-dimethoxyphenyl)methylideneamino]thiourea Openeye Name: 1-[(4-butoxyphenyl)methyl]-3-[(E)-(3,4-dimethoxyphenyl)methyleneamino]thiourea CAS Name: 1-[(4-butoxyphenyl)methyl]-3-[(E)-(3,4-dimethoxyphenyl)methylideneamino]thiourea IUPAC Name: 1-[(4-butoxyphenyl)methyl]-3-[(E)-(3,4-dimethoxyphenyl)methylideneamino]thiourea Traditional Name: 1-(4-butoxybenzyl)-3-[(E)-veratrylideneamino]thiourea Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CNC(=S)NN=CC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CNC(=S)N/N=C/C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H27N3O3S/c1-4-5-12-27-18-9-6-16(7-10-18)14-22-21(28)24-23-15-17-8-11-19(25-2)20(13-17)26-3/h6-11,13,15H,4-5,12,14H2,1-3H3,(H2,22,24,28)/b23-15+