methyl 2-[2-[[4-(diethylamino)phenyl]carbamothioylamino]ethanoylamino]hexanoate

Systemtic Name: methyl 2-[2-[[4-(diethylamino)phenyl]carbamothioylamino]ethanoylamino]hexanoate Openeye Name: methyl 2-[[2-[[4-(diethylamino)phenyl]carbamothioylamino]acetyl]amino]hexanoate CAS Name: 2-[[2-[[[4-(diethylamino)anilino]-sulfanylidenemethyl]amino]-1-oxoethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 2-[[2-[[4-(diethylamino)phenyl]carbamothioylamino]acetyl]amino]hexanoate Traditional Name: 2-[[2-[[4-(diethylamino)phenyl]thiocarbamoylamino]acetyl]amino]hexanoic acid methyl ester Formula: C20H32N4O3S MolecularWeight: 408.55808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N4O3S/c1-5-8-9-17(19(26)27-4)23-18(25)14-21-20(28)22-15-10-12-16(13-11-15)24(6-2)7-3/h10-13,17H,5-9,14H2,1-4H3,(H,23,25)(H2,21,22,28)