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

Systemtic Name: methyl 2-[2-[(4-butylphenyl)carbamothioylamino]ethanoylamino]hexanoate Openeye Name: methyl 2-[[2-[(4-butylphenyl)carbamothioylamino]acetyl]amino]hexanoate CAS Name: 2-[[2-[[(4-butylanilino)-sulfanylidenemethyl]amino]-1-oxoethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(4-butylphenyl)carbamothioylamino]acetyl]amino]hexanoate Traditional Name: 2-[[2-[(4-butylphenyl)thiocarbamoylamino]acetyl]amino]hexanoic acid methyl ester Formula: C20H31N3O3S MolecularWeight: 393.54344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O3S/c1-4-6-8-15-10-12-16(13-11-15)22-20(27)21-14-18(24)23-17(9-7-5-2)19(25)26-3/h10-13,17H,4-9,14H2,1-3H3,(H,23,24)(H2,21,22,27)