methyl 3-[[2-(4-carbamothioylphenyl)carbonylimino-4-methyl-3-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[2-(4-carbamothioylphenyl)carbonylimino-4-methyl-3-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[2-(4-carbamothioylbenzoyl)imino-4-methyl-3-(1-naphthylmethyl)thiazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-[(4-carbamothioylphenyl)-oxomethyl]imino-4-methyl-3-(1-naphthalenylmethyl)-5-thiazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-carbamothioylbenzoyl)imino-4-methyl-3-(naphthalen-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[4-methyl-3-(1-naphthylmethyl)-2-(4-thiocarbamoylbenzoyl)imino-4-thiazoline-5-carbonyl]amino]propionic acid methyl ester Formula: C28H26N4O4S2 MolecularWeight: 546.66044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=NC(=O)C2=CC=C(C=C2)C(=S)N)N1CC3=CC=CC4=CC=CC=C43)C(=O)NCCC(=O)OC

Isomeric SMILES

CC1=C(SC(=NC(=O)C2=CC=C(C=C2)C(=S)N)N1CC3=CC=CC4=CC=CC=C43)C(=O)NCCC(=O)OC

InChI

InChI=1S/C28H26N4O4S2/c1-17-24(27(35)30-15-14-23(33)36-2)38-28(31-26(34)20-12-10-19(11-13-20)25(29)37)32(17)16-21-8-5-7-18-6-3-4-9-22(18)21/h3-13H,14-16H2,1-2H3,(H2,29,37)(H,30,35)