1-[(E)-(4-heptoxyphenyl)methylideneamino]-3-[(4-propan-2-yloxyphenyl)methyl]thiourea

Systemtic Name: 1-[(E)-(4-heptoxyphenyl)methylideneamino]-3-[(4-propan-2-yloxyphenyl)methyl]thiourea Openeye Name: 1-[(E)-(4-heptoxyphenyl)methyleneamino]-3-[(4-isopropoxyphenyl)methyl]thiourea CAS Name: 1-[(E)-(4-heptoxyphenyl)methylideneamino]-3-[(4-propan-2-yloxyphenyl)methyl]thiourea IUPAC Name: 1-[(E)-(4-heptoxyphenyl)methylideneamino]-3-[(4-propan-2-yloxyphenyl)methyl]thiourea Traditional Name: 1-[(E)-(4-heptoxybenzylidene)amino]-3-(4-isopropoxybenzyl)thiourea Formula: C25H35N3O2S MolecularWeight: 441.6293

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C=NNC(=S)NCC2=CC=C(C=C2)OC(C)C

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)/C=N/NC(=S)NCC2=CC=C(C=C2)OC(C)C

InChI

InChI=1S/C25H35N3O2S/c1-4-5-6-7-8-17-29-23-13-9-22(10-14-23)19-27-28-25(31)26-18-21-11-15-24(16-12-21)30-20(2)3/h9-16,19-20H,4-8,17-18H2,1-3H3,(H2,26,28,31)/b27-19+