methyl 2-[[3-imidazol-1-ylpropyl-[(5-methylfuran-2-yl)methyl]carbamothioyl]amino]benzoate

Systemtic Name: methyl 2-[[3-imidazol-1-ylpropyl-[(5-methylfuran-2-yl)methyl]carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[3-imidazol-1-ylpropyl-[(5-methyl-2-furyl)methyl]carbamothioyl]amino]benzoate CAS Name: 2-[[[3-(1-imidazolyl)propyl-[(5-methyl-2-furanyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[3-imidazol-1-ylpropyl-[(5-methylfuran-2-yl)methyl]carbamothioyl]amino]benzoate Traditional Name: 2-[[3-imidazol-1-ylpropyl-[(5-methyl-2-furyl)methyl]thiocarbamoyl]amino]benzoic acid methyl ester Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CN(CCCN2C=CN=C2)C(=S)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=CC=C(O1)CN(CCCN2C=CN=C2)C(=S)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C21H24N4O3S/c1-16-8-9-17(28-16)14-25(12-5-11-24-13-10-22-15-24)21(29)23-19-7-4-3-6-18(19)20(26)27-2/h3-4,6-10,13,15H,5,11-12,14H2,1-2H3,(H,23,29)