4-butoxy-N-[2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 4-butoxy-N-[2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: N-[2-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-butoxy-benzamide CAS Name: 4-butoxy-N-[2-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: N-[2-[2-(benzylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-butoxybenzamide Traditional Name: N-[2-[[2-(benzylamino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-4-butoxy-benzamide Formula: C27H27N3O3S2 MolecularWeight: 505.65158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NCC4=CC=CC=C4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C27H27N3O3S2/c1-2-3-15-33-22-12-9-20(10-13-22)26(32)29-21-11-14-23-24(16-21)35-27(30-23)34-18-25(31)28-17-19-7-5-4-6-8-19/h4-14,16H,2-3,15,17-18H2,1H3,(H,28,31)(H,29,32)