(3-oxidanylidene-3-phenoxathiin-2-yl-1-phenyl-propyl) N-(4-methylphenyl)carbamodithioate

Systemtic Name: (3-oxidanylidene-3-phenoxathiin-2-yl-1-phenyl-propyl) N-(4-methylphenyl)carbamodithioate Openeye Name: (3-oxo-3-phenoxathiin-2-yl-1-phenyl-propyl) N-(p-tolyl)carbamodithioate CAS Name: N-(4-methylphenyl)carbamodithioic acid [3-oxo-3-(2-phenoxathiinyl)-1-phenylpropyl] ester IUPAC Name: (3-oxo-3-phenoxathiin-2-yl-1-phenylpropyl) N-(4-methylphenyl)carbamodithioate Traditional Name: N-(p-tolyl)carbamodithioic acid (3-keto-3-phenoxathiin-2-yl-1-phenyl-propyl) ester Formula: C29H23NO2S3 MolecularWeight: 513.69342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)SC(CC(=O)C2=CC3=C(C=C2)OC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)SC(CC(=O)C2=CC3=C(C=C2)OC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C29H23NO2S3/c1-19-11-14-22(15-12-19)30-29(33)35-27(20-7-3-2-4-8-20)18-23(31)21-13-16-25-28(17-21)34-26-10-6-5-9-24(26)32-25/h2-17,27H,18H2,1H3,(H,30,33)