(4-chlorophenyl) N-(3-hexylphenyl)-3,3-bis[(3-methoxyphenyl)sulfanyl]propanimidothioate

Systemtic Name: (4-chlorophenyl) N-(3-hexylphenyl)-3,3-bis[(3-methoxyphenyl)sulfanyl]propanimidothioate Openeye Name: (4-chlorophenyl) N-(3-hexylphenyl)-3,3-bis[(3-methoxyphenyl)sulfanyl]propanimidothioate CAS Name: N-(3-hexylphenyl)-3,3-bis[(3-methoxyphenyl)thio]propanimidothioic acid (4-chlorophenyl) ester IUPAC Name: (4-chlorophenyl) N-(3-hexylphenyl)-3,3-bis[(3-methoxyphenyl)sulfanyl]propanimidothioate Traditional Name: N-(3-hexylphenyl)-3,3-bis[(3-methoxyphenyl)thio]thiopropionimidic acid (4-chlorophenyl) ester Formula: C35H38ClNO2S3 MolecularWeight: 636.32972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=CC=C1)N=C(CC(SC2=CC=CC(=C2)OC)SC3=CC=CC(=C3)OC)SC4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCCCC1=CC(=CC=C1)N=C(CC(SC2=CC=CC(=C2)OC)SC3=CC=CC(=C3)OC)SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C35H38ClNO2S3/c1-4-5-6-7-11-26-12-8-13-28(22-26)37-34(40-31-20-18-27(36)19-21-31)25-35(41-32-16-9-14-29(23-32)38-2)42-33-17-10-15-30(24-33)39-3/h8-10,12-24,35H,4-7,11,25H2,1-3H3