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

Systemtic Name: methyl 2-[2-[(4-butyl-2-methyl-phenyl)carbamothioylamino]ethanoylamino]hexanoate Openeye Name: methyl 2-[[2-[(4-butyl-2-methyl-phenyl)carbamothioylamino]acetyl]amino]hexanoate CAS Name: 2-[[2-[[(4-butyl-2-methylanilino)-sulfanylidenemethyl]amino]-1-oxoethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(4-butyl-2-methylphenyl)carbamothioylamino]acetyl]amino]hexanoate Traditional Name: 2-[[2-[(4-butyl-2-methyl-phenyl)thiocarbamoylamino]acetyl]amino]hexanoic acid methyl ester Formula: C21H33N3O3S MolecularWeight: 407.57002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)NC(=S)NCC(=O)NC(CCCC)C(=O)OC)C

Isomeric SMILES

CCCCC1=CC(=C(C=C1)NC(=S)NCC(=O)NC(CCCC)C(=O)OC)C

InChI

InChI=1S/C21H33N3O3S/c1-5-7-9-16-11-12-17(15(3)13-16)24-21(28)22-14-19(25)23-18(10-8-6-2)20(26)27-4/h11-13,18H,5-10,14H2,1-4H3,(H,23,25)(H2,22,24,28)