N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-(1,3-dithiolan-2-yl)benzamide

Systemtic Name: N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-(1,3-dithiolan-2-yl)benzamide Openeye Name: N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-(1,3-dithiolan-2-yl)benzamide CAS Name: N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-(1,3-dithiolan-2-yl)benzamide IUPAC Name: N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-(1,3-dithiolan-2-yl)benzamide Traditional Name: N-cyclopropyl-N-(2,5-dimethoxybenzyl)-4-(1,3-dithiolan-2-yl)benzamide Formula: C22H25NO3S2 MolecularWeight: 415.5688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN(C2CC2)C(=O)C3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN(C2CC2)C(=O)C3=CC=C(C=C3)C4SCCS4

InChI

InChI=1S/C22H25NO3S2/c1-25-19-9-10-20(26-2)17(13-19)14-23(18-7-8-18)21(24)15-3-5-16(6-4-15)22-27-11-12-28-22/h3-6,9-10,13,18,22H,7-8,11-12,14H2,1-2H3