propan-2-yl 4-[(6-methoxy-6-oxidanylidene-hexyl)carbamothioylamino]benzoate

Systemtic Name: propan-2-yl 4-[(6-methoxy-6-oxidanylidene-hexyl)carbamothioylamino]benzoate Openeye Name: isopropyl 4-[(6-methoxy-6-oxo-hexyl)carbamothioylamino]benzoate CAS Name: 4-[[[(6-methoxy-6-oxohexyl)amino]-sulfanylidenemethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(6-methoxy-6-oxohexyl)carbamothioylamino]benzoate Traditional Name: 4-[(6-keto-6-methoxy-hexyl)thiocarbamoylamino]benzoic acid isopropyl ester Formula: C18H26N2O4S MolecularWeight: 366.47504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=S)NCCCCCC(=O)OC

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C18H26N2O4S/c1-13(2)24-17(22)14-8-10-15(11-9-14)20-18(25)19-12-6-4-5-7-16(21)23-3/h8-11,13H,4-7,12H2,1-3H3,(H2,19,20,25)