methyl 3-[2-[(2-methylpropan-2-yl)oxycarbothioylamino]pentanoylamino]benzoate

Systemtic Name: methyl 3-[2-[(2-methylpropan-2-yl)oxycarbothioylamino]pentanoylamino]benzoate Openeye Name: methyl 3-[2-(tert-butoxycarbothioylamino)pentanoylamino]benzoate CAS Name: 3-[[2-[[(2-methylpropan-2-yl)oxy-sulfanylidenemethyl]amino]-1-oxopentyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[(2-methylpropan-2-yl)oxycarbothioylamino]pentanoylamino]benzoate Traditional Name: 3-[2-(tert-butoxycarbothioylamino)pentanoylamino]benzoic acid methyl ester Formula: C18H26N2O4S MolecularWeight: 366.47504

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC1=CC=CC(=C1)C(=O)OC)NC(=S)OC(C)(C)C

Isomeric SMILES

CCCC(C(=O)NC1=CC=CC(=C1)C(=O)OC)NC(=S)OC(C)(C)C

InChI

InChI=1S/C18H26N2O4S/c1-6-8-14(20-17(25)24-18(2,3)4)15(21)19-13-10-7-9-12(11-13)16(22)23-5/h7,9-11,14H,6,8H2,1-5H3,(H,19,21)(H,20,25)