N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[(4-methylsulfanylphenyl)carbamoylamino]-3-phenyl-propanamide

Systemtic Name: N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[(4-methylsulfanylphenyl)carbamoylamino]-3-phenyl-propanamide Openeye Name: N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[(4-methylsulfanylphenyl)carbamoylamino]-3-phenyl-propanamide CAS Name: N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[[[4-(methylthio)anilino]-oxomethyl]amino]-3-phenylpropanamide IUPAC Name: N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[(4-methylsulfanylphenyl)carbamoylamino]-3-phenylpropanamide Traditional Name: N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[[4-(methylthio)phenyl]carbamoylamino]-3-phenyl-propionamide Formula: C26H25N5O3S2 MolecularWeight: 519.6384

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C(CC3=CC=CC=C3)NC(=O)NC4=CC=C(C=C4)SC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C(CC3=CC=CC=C3)NC(=O)NC4=CC=C(C=C4)SC

InChI

InChI=1S/C26H25N5O3S2/c1-34-20-12-8-18(9-13-20)24-30-31-26(36-24)29-23(32)22(16-17-6-4-3-5-7-17)28-25(33)27-19-10-14-21(35-2)15-11-19/h3-15,22H,16H2,1-2H3,(H2,27,28,33)(H,29,31,32)