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

Systemtic Name: 1-[(4-butoxyphenyl)methyl]-3-[(E)-(4-heptoxyphenyl)methylideneamino]thiourea Openeye Name: 1-[(4-butoxyphenyl)methyl]-3-[(E)-(4-heptoxyphenyl)methyleneamino]thiourea CAS Name: 1-[(4-butoxyphenyl)methyl]-3-[(E)-(4-heptoxyphenyl)methylideneamino]thiourea IUPAC Name: 1-[(4-butoxyphenyl)methyl]-3-[(E)-(4-heptoxyphenyl)methylideneamino]thiourea Traditional Name: 1-(4-butoxybenzyl)-3-[(E)-(4-heptoxybenzylidene)amino]thiourea Formula: C26H37N3O2S MolecularWeight: 455.65588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37N3O2S/c1-3-5-7-8-9-19-31-25-16-12-23(13-17-25)21-28-29-26(32)27-20-22-10-14-24(15-11-22)30-18-6-4-2/h10-17,21H,3-9,18-20H2,1-2H3,(H2,27,29,32)/b28-21+