N-[2-[[4-[(4-ethanoylphenyl)carbamoyl]phenyl]methylsulfanyl]-1,3-benzothiazol-6-yl]-3-methyl-benzamide

Systemtic Name: N-[2-[[4-[(4-ethanoylphenyl)carbamoyl]phenyl]methylsulfanyl]-1,3-benzothiazol-6-yl]-3-methyl-benzamide Openeye Name: N-[2-[[4-[(4-acetylphenyl)carbamoyl]phenyl]methylsulfanyl]-1,3-benzothiazol-6-yl]-3-methyl-benzamide CAS Name: N-[2-[[4-[(4-acetylanilino)-oxomethyl]phenyl]methylthio]-1,3-benzothiazol-6-yl]-3-methylbenzamide IUPAC Name: N-[2-[[4-[(4-acetylphenyl)carbamoyl]phenyl]methylsulfanyl]-1,3-benzothiazol-6-yl]-3-methylbenzamide Traditional Name: N-[2-[[4-[(4-acetylphenyl)carbamoyl]benzyl]thio]-1,3-benzothiazol-6-yl]-3-methyl-benzamide Formula: C31H25N3O3S2 MolecularWeight: 551.6785

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=C(C=C4)C(=O)NC5=CC=C(C=C5)C(=O)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=C(C=C4)C(=O)NC5=CC=C(C=C5)C(=O)C

InChI

InChI=1S/C31H25N3O3S2/c1-19-4-3-5-24(16-19)30(37)33-26-14-15-27-28(17-26)39-31(34-27)38-18-21-6-8-23(9-7-21)29(36)32-25-12-10-22(11-13-25)20(2)35/h3-17H,18H2,1-2H3,(H,32,36)(H,33,37)