ethyl 3-[[2-[(1-methoxy-1-oxidanylidene-hexan-2-yl)amino]-2-oxidanylidene-ethyl]carbamothioylamino]benzoate

Systemtic Name: ethyl 3-[[2-[(1-methoxy-1-oxidanylidene-hexan-2-yl)amino]-2-oxidanylidene-ethyl]carbamothioylamino]benzoate Openeye Name: ethyl 3-[[2-(1-methoxycarbonylpentylamino)-2-oxo-ethyl]carbamothioylamino]benzoate CAS Name: 3-[[[[2-[(1-methoxy-1-oxohexan-2-yl)amino]-2-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(1-methoxy-1-oxohexan-2-yl)amino]-2-oxoethyl]carbamothioylamino]benzoate Traditional Name: 3-[[2-(1-carbomethoxypentylamino)-2-keto-ethyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C19H27N3O5S MolecularWeight: 409.49978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC)NC(=O)CNC(=S)NC1=CC=CC(=C1)C(=O)OCC

Isomeric SMILES

CCCCC(C(=O)OC)NC(=O)CNC(=S)NC1=CC=CC(=C1)C(=O)OCC

InChI

InChI=1S/C19H27N3O5S/c1-4-6-10-15(18(25)26-3)22-16(23)12-20-19(28)21-14-9-7-8-13(11-14)17(24)27-5-2/h7-9,11,15H,4-6,10,12H2,1-3H3,(H,22,23)(H2,20,21,28)