N-[[4-(diethylamino)-2-methyl-phenyl]carbamothioyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[[4-(diethylamino)-2-methyl-phenyl]carbamothioyl]-3,4-dimethoxy-benzamide Openeye Name: N-[[4-(diethylamino)-2-methyl-phenyl]carbamothioyl]-3,4-dimethoxy-benzamide CAS Name: N-[[4-(diethylamino)-2-methylanilino]-sulfanylidenemethyl]-3,4-dimethoxybenzamide IUPAC Name: N-[[4-(diethylamino)-2-methylphenyl]carbamothioyl]-3,4-dimethoxybenzamide Traditional Name: N-[[4-(diethylamino)-2-methyl-phenyl]thiocarbamoyl]-3,4-dimethoxy-benzamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OC)OC)C

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OC)OC)C

InChI

InChI=1S/C21H27N3O3S/c1-6-24(7-2)16-9-10-17(14(3)12-16)22-21(28)23-20(25)15-8-11-18(26-4)19(13-15)27-5/h8-13H,6-7H2,1-5H3,(H2,22,23,25,28)