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

Systemtic Name: (3-oxidanylidene-3-phenoxathiin-2-yl-1-phenyl-propyl) N-(phenylmethyl)carbamodithioate Openeye Name: (3-oxo-3-phenoxathiin-2-yl-1-phenyl-propyl) N-benzylcarbamodithioate CAS Name: N-(phenylmethyl)carbamodithioic acid [3-oxo-3-(2-phenoxathiinyl)-1-phenylpropyl] ester IUPAC Name: (3-oxo-3-phenoxathiin-2-yl-1-phenylpropyl) N-benzylcarbamodithioate Traditional Name: N-benzylcarbamodithioic 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:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H23NO2S3/c31-23(22-15-16-25-28(17-22)34-26-14-8-7-13-24(26)32-25)18-27(21-11-5-2-6-12-21)35-29(33)30-19-20-9-3-1-4-10-20/h1-17,27H,18-19H2,(H,30,33)