S-hexahelicen-3-yl N,N-dimethylcarbamothioate

Systemtic Name: S-hexahelicen-3-yl N,N-dimethylcarbamothioate Openeye Name: S-hexahelicen-3-yl N,N-dimethylcarbamothioate CAS Name: N,N-dimethylcarbamothioic acid S-(3-hexahelicenyl) ester IUPAC Name: S-hexahelicen-3-yl N,N-dimethylcarbamothioate Traditional Name: N,N-dimethylthiocarbamic acid S-hexahelicen-3-yl ester Formula: C29H21NOS MolecularWeight: 431.54814

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)SC1=CC2=C(C=C1)C3=C(C=CC4=C3C5=C(C=C4)C=CC6=CC=CC=C65)C=C2

Isomeric SMILES

CN(C)C(=O)SC1=CC2=C(C=C1)C3=C(C=CC4=C3C5=C(C=C4)C=CC6=CC=CC=C65)C=C2

InChI

InChI=1S/C29H21NOS/c1-30(2)29(31)32-23-15-16-25-22(17-23)14-13-20-10-12-21-11-9-19-8-7-18-5-3-4-6-24(18)26(19)28(21)27(20)25/h3-17H,1-2H3