N-[3-[2-(1,3-benzothiazol-2-yl)ethylamino]-3-oxidanylidene-propyl]-4-tert-butyl-benzamide

Systemtic Name: N-[3-[2-(1,3-benzothiazol-2-yl)ethylamino]-3-oxidanylidene-propyl]-4-tert-butyl-benzamide Openeye Name: N-[3-[2-(1,3-benzothiazol-2-yl)ethylamino]-3-oxo-propyl]-4-tert-butyl-benzamide CAS Name: N-[3-[2-(1,3-benzothiazol-2-yl)ethylamino]-3-oxopropyl]-4-tert-butylbenzamide IUPAC Name: N-[3-[2-(1,3-benzothiazol-2-yl)ethylamino]-3-oxopropyl]-4-tert-butylbenzamide Traditional Name: N-[3-[2-(1,3-benzothiazol-2-yl)ethylamino]-3-keto-propyl]-4-tert-butyl-benzamide Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)NCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)NCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C23H27N3O2S/c1-23(2,3)17-10-8-16(9-11-17)22(28)25-14-12-20(27)24-15-13-21-26-18-6-4-5-7-19(18)29-21/h4-11H,12-15H2,1-3H3,(H,24,27)(H,25,28)