N-[3,4-dihydro-1H-isochromen-1-ylmethyl-(phenylmethyl)carbamothioyl]benzamide

Systemtic Name: N-[3,4-dihydro-1H-isochromen-1-ylmethyl-(phenylmethyl)carbamothioyl]benzamide Openeye Name: N-[benzyl(isochroman-1-ylmethyl)carbamothioyl]benzamide CAS Name: N-[[3,4-dihydro-1H-2-benzopyran-1-ylmethyl-(phenylmethyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[benzyl(3,4-dihydro-1H-isochromen-1-ylmethyl)carbamothioyl]benzamide Traditional Name: N-[benzyl(isochroman-1-ylmethyl)thiocarbamoyl]benzamide Formula: C25H24N2O2S MolecularWeight: 416.53526

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=CC=CC=C21)CN(CC3=CC=CC=C3)C(=S)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1COC(C2=CC=CC=C21)CN(CC3=CC=CC=C3)C(=S)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H24N2O2S/c28-24(21-12-5-2-6-13-21)26-25(30)27(17-19-9-3-1-4-10-19)18-23-22-14-8-7-11-20(22)15-16-29-23/h1-14,23H,15-18H2,(H,26,28,30)