N-[(E)-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]methylideneamino]-4-tert-butyl-benzamide

Systemtic Name: N-[(E)-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]methylideneamino]-4-tert-butyl-benzamide Openeye Name: N-[(E)-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]methyleneamino]-4-tert-butyl-benzamide CAS Name: N-[(E)-[3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methoxyphenyl]methylideneamino]-4-tert-butylbenzamide IUPAC Name: N-[(E)-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxyphenyl]methylideneamino]-4-tert-butylbenzamide Traditional Name: N-[(E)-[3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methoxy-benzylidene]amino]-4-tert-butyl-benzamide Formula: C27H27N3O2S2 MolecularWeight: 489.65218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NN=CC2=CC(=C(C=C2)OC)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N/N=C/C2=CC(=C(C=C2)OC)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C27H27N3O2S2/c1-27(2,3)21-12-10-19(11-13-21)25(31)30-28-16-18-9-14-23(32-4)20(15-18)17-33-26-29-22-7-5-6-8-24(22)34-26/h5-16H,17H2,1-4H3,(H,30,31)/b28-16+