N-[4-[(2,5-dimethylphenyl)carbamothioylamino]-2,5-diethoxy-phenyl]-3-methoxy-benzamide

Systemtic Name: N-[4-[(2,5-dimethylphenyl)carbamothioylamino]-2,5-diethoxy-phenyl]-3-methoxy-benzamide Openeye Name: N-[4-[(2,5-dimethylphenyl)carbamothioylamino]-2,5-diethoxy-phenyl]-3-methoxy-benzamide CAS Name: N-[4-[[(2,5-dimethylanilino)-sulfanylidenemethyl]amino]-2,5-diethoxyphenyl]-3-methoxybenzamide IUPAC Name: N-[4-[(2,5-dimethylphenyl)carbamothioylamino]-2,5-diethoxyphenyl]-3-methoxybenzamide Traditional Name: N-[4-[(2,5-dimethylphenyl)thiocarbamoylamino]-2,5-diethoxy-phenyl]-3-methoxy-benzamide Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1NC(=O)C2=CC(=CC=C2)OC)OCC)NC(=S)NC3=C(C=CC(=C3)C)C

Isomeric SMILES

CCOC1=CC(=C(C=C1NC(=O)C2=CC(=CC=C2)OC)OCC)NC(=S)NC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C27H31N3O4S/c1-6-33-24-16-23(30-27(35)29-21-13-17(3)11-12-18(21)4)25(34-7-2)15-22(24)28-26(31)19-9-8-10-20(14-19)32-5/h8-16H,6-7H2,1-5H3,(H,28,31)(H2,29,30,35)