methyl 2-[(4-butylphenyl)carbamothioylamino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[(4-butylphenyl)carbamothioylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[(4-butylphenyl)carbamothioylamino]-4,5-dimethoxy-benzoate CAS Name: 2-[[(4-butylanilino)-sulfanylidenemethyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[(4-butylphenyl)carbamothioylamino]-4,5-dimethoxybenzoate Traditional Name: 2-[(4-butylphenyl)thiocarbamoylamino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2C(=O)OC)OC)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2C(=O)OC)OC)OC

InChI

InChI=1S/C21H26N2O4S/c1-5-6-7-14-8-10-15(11-9-14)22-21(28)23-17-13-19(26-3)18(25-2)12-16(17)20(24)27-4/h8-13H,5-7H2,1-4H3,(H2,22,23,28)