N-[3-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]amino]-3-oxidanylidene-propyl]-2-methyl-benzamide

Systemtic Name: N-[3-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]amino]-3-oxidanylidene-propyl]-2-methyl-benzamide Openeye Name: N-[3-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-3-oxo-propyl]-2-methyl-benzamide CAS Name: N-[3-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-3-oxopropyl]-2-methylbenzamide IUPAC Name: N-[3-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-3-oxopropyl]-2-methylbenzamide Traditional Name: N-[3-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-3-keto-propyl]-2-methyl-benzamide Formula: C25H23N3O2S MolecularWeight: 429.53402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCCC(=O)NC2=CC=C(C=C2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCCC(=O)NC2=CC=C(C=C2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H23N3O2S/c1-17-6-2-3-7-20(17)25(30)26-15-14-23(29)27-19-12-10-18(11-13-19)16-24-28-21-8-4-5-9-22(21)31-24/h2-13H,14-16H2,1H3,(H,26,30)(H,27,29)