methyl 2-[2-[(4-dimethylaminophenyl)carbamothioylamino]ethanoylamino]hexanoate

Systemtic Name: methyl 2-[2-[(4-dimethylaminophenyl)carbamothioylamino]ethanoylamino]hexanoate Openeye Name: methyl 2-[[2-[(4-dimethylaminophenyl)carbamothioylamino]acetyl]amino]hexanoate CAS Name: 2-[[2-[[[4-(dimethylamino)anilino]-sulfanylidenemethyl]amino]-1-oxoethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(4-dimethylaminophenyl)carbamothioylamino]acetyl]amino]hexanoate Traditional Name: 2-[[2-[(4-dimethylaminophenyl)thiocarbamoylamino]acetyl]amino]hexanoic acid methyl ester Formula: C18H28N4O3S MolecularWeight: 380.50492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O3S/c1-5-6-7-15(17(24)25-4)21-16(23)12-19-18(26)20-13-8-10-14(11-9-13)22(2)3/h8-11,15H,5-7,12H2,1-4H3,(H,21,23)(H2,19,20,26)