methyl 2-[[2-[(2-ethylphenyl)carbamothioylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoate

Systemtic Name: methyl 2-[[2-[(2-ethylphenyl)carbamothioylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoate Openeye Name: methyl 2-[[2-[(2-ethylphenyl)carbamothioylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoate CAS Name: 2-[[2-[[(2-ethylanilino)-sulfanylidenemethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(2-ethylphenyl)carbamothioylamino]-3-phenylpropanoyl]amino]-4-methylpentanoate Traditional Name: 2-[[2-[(2-ethylphenyl)thiocarbamoylamino]-3-phenyl-propanoyl]amino]-4-methyl-valeric acid methyl ester Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)NC(CC2=CC=CC=C2)C(=O)NC(CC(C)C)C(=O)OC

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)NC(CC2=CC=CC=C2)C(=O)NC(CC(C)C)C(=O)OC

InChI

InChI=1S/C25H33N3O3S/c1-5-19-13-9-10-14-20(19)27-25(32)28-21(16-18-11-7-6-8-12-18)23(29)26-22(15-17(2)3)24(30)31-4/h6-14,17,21-22H,5,15-16H2,1-4H3,(H,26,29)(H2,27,28,32)