N-[1-[4-(aminomethyl)phenyl]-2-(1,3-benzothiazol-2-yl)-2-oxidanylidene-ethyl]-4-propan-2-yl-benzamide

Systemtic Name: N-[1-[4-(aminomethyl)phenyl]-2-(1,3-benzothiazol-2-yl)-2-oxidanylidene-ethyl]-4-propan-2-yl-benzamide Openeye Name: N-[1-[4-(aminomethyl)phenyl]-2-(1,3-benzothiazol-2-yl)-2-oxo-ethyl]-4-isopropyl-benzamide CAS Name: N-[1-[4-(aminomethyl)phenyl]-2-(1,3-benzothiazol-2-yl)-2-oxoethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[1-[4-(aminomethyl)phenyl]-2-(1,3-benzothiazol-2-yl)-2-oxoethyl]-4-propan-2-ylbenzamide Traditional Name: N-[1-[4-(aminomethyl)phenyl]-2-(1,3-benzothiazol-2-yl)-2-keto-ethyl]-4-isopropyl-benzamide Formula: C26H25N3O2S MolecularWeight: 443.5606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)NC(C2=CC=C(C=C2)CN)C(=O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)NC(C2=CC=C(C=C2)CN)C(=O)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C26H25N3O2S/c1-16(2)18-11-13-20(14-12-18)25(31)29-23(19-9-7-17(15-27)8-10-19)24(30)26-28-21-5-3-4-6-22(21)32-26/h3-14,16,23H,15,27H2,1-2H3,(H,29,31)