N-[4-[(2,5-dimethylphenyl)carbamothioylamino]-2,5-diethoxy-phenyl]butanamide

Systemtic Name: N-[4-[(2,5-dimethylphenyl)carbamothioylamino]-2,5-diethoxy-phenyl]butanamide Openeye Name: N-[4-[(2,5-dimethylphenyl)carbamothioylamino]-2,5-diethoxy-phenyl]butanamide CAS Name: N-[4-[[(2,5-dimethylanilino)-sulfanylidenemethyl]amino]-2,5-diethoxyphenyl]butanamide IUPAC Name: N-[4-[(2,5-dimethylphenyl)carbamothioylamino]-2,5-diethoxyphenyl]butanamide Traditional Name: N-[4-[(2,5-dimethylphenyl)thiocarbamoylamino]-2,5-diethoxy-phenyl]butyramide Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1OCC)NC(=S)NC2=C(C=CC(=C2)C)C)OCC

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1OCC)NC(=S)NC2=C(C=CC(=C2)C)C)OCC

InChI

InChI=1S/C23H31N3O3S/c1-6-9-22(27)24-18-13-21(29-8-3)19(14-20(18)28-7-2)26-23(30)25-17-12-15(4)10-11-16(17)5/h10-14H,6-9H2,1-5H3,(H,24,27)(H2,25,26,30)