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

Systemtic Name: methyl 5-[[(4-butylphenyl)carbamothioylamino]methyl]-2-methoxy-benzoate Openeye Name: methyl 5-[[(4-butylphenyl)carbamothioylamino]methyl]-2-methoxy-benzoate CAS Name: 5-[[[(4-butylanilino)-sulfanylidenemethyl]amino]methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[[(4-butylphenyl)carbamothioylamino]methyl]-2-methoxybenzoate Traditional Name: 5-[[(4-butylphenyl)thiocarbamoylamino]methyl]-2-methoxy-benzoic acid methyl ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NCC2=CC(=C(C=C2)OC)C(=O)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NCC2=CC(=C(C=C2)OC)C(=O)OC

InChI

InChI=1S/C21H26N2O3S/c1-4-5-6-15-7-10-17(11-8-15)23-21(27)22-14-16-9-12-19(25-2)18(13-16)20(24)26-3/h7-13H,4-6,14H2,1-3H3,(H2,22,23,27)