methyl 4-[[2-[(1-methoxy-1-oxidanylidene-hexan-2-yl)amino]-2-oxidanylidene-ethyl]carbamothioylamino]benzoate

Systemtic Name: methyl 4-[[2-[(1-methoxy-1-oxidanylidene-hexan-2-yl)amino]-2-oxidanylidene-ethyl]carbamothioylamino]benzoate Openeye Name: methyl 4-[[2-(1-methoxycarbonylpentylamino)-2-oxo-ethyl]carbamothioylamino]benzoate CAS Name: 4-[[[[2-[(1-methoxy-1-oxohexan-2-yl)amino]-2-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(1-methoxy-1-oxohexan-2-yl)amino]-2-oxoethyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(1-carbomethoxypentylamino)-2-keto-ethyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C18H25N3O5S MolecularWeight: 395.4732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O5S/c1-4-5-6-14(17(24)26-3)21-15(22)11-19-18(27)20-13-9-7-12(8-10-13)16(23)25-2/h7-10,14H,4-6,11H2,1-3H3,(H,21,22)(H2,19,20,27)