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

Systemtic Name: N-[3-(1,3-benzothiazol-2-ylamino)-3-oxidanylidene-propyl]-4-tert-butyl-benzamide Openeye Name: N-[3-(1,3-benzothiazol-2-ylamino)-3-oxo-propyl]-4-tert-butyl-benzamide CAS Name: N-[3-(1,3-benzothiazol-2-ylamino)-3-oxopropyl]-4-tert-butylbenzamide IUPAC Name: N-[3-(1,3-benzothiazol-2-ylamino)-3-oxopropyl]-4-tert-butylbenzamide Traditional Name: N-[3-(1,3-benzothiazol-2-ylamino)-3-keto-propyl]-4-tert-butyl-benzamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H23N3O2S/c1-21(2,3)15-10-8-14(9-11-15)19(26)22-13-12-18(25)24-20-23-16-6-4-5-7-17(16)27-20/h4-11H,12-13H2,1-3H3,(H,22,26)(H,23,24,25)