1-[(2-methylphenyl)methyl]-3-phenethyl-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione

Systemtic Name: 1-[(2-methylphenyl)methyl]-3-phenethyl-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione Openeye Name: 1-(o-tolylmethyl)-3-phenethyl-benzothiopheno[3,2-d]pyrimidine-2,4-dione CAS Name: 1-[(2-methylphenyl)methyl]-3-phenethyl-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione IUPAC Name: 1-[(2-methylphenyl)methyl]-3-phenethyl-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione Traditional Name: 1-(2-methylbenzyl)-3-phenethyl-benzothiopheno[3,2-d]pyrimidine-2,4-quinone Formula: C26H22N2O2S MolecularWeight: 426.53008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C3=C(C(=O)N(C2=O)CCC4=CC=CC=C4)SC5=CC=CC=C53

Isomeric SMILES

CC1=CC=CC=C1CN2C3=C(C(=O)N(C2=O)CCC4=CC=CC=C4)SC5=CC=CC=C53

InChI

InChI=1S/C26H22N2O2S/c1-18-9-5-6-12-20(18)17-28-23-21-13-7-8-14-22(21)31-24(23)25(29)27(26(28)30)16-15-19-10-3-2-4-11-19/h2-14H,15-17H2,1H3