N-[2-[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]sulfanyl-1,3-benzothiazol-6-yl]propanamide

Systemtic Name: N-[2-[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]sulfanyl-1,3-benzothiazol-6-yl]propanamide Openeye Name: N-[2-[2-(4-isopropylanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]propanamide CAS Name: N-[2-[[2-oxo-2-(4-propan-2-ylanilino)ethyl]thio]-1,3-benzothiazol-6-yl]propanamide IUPAC Name: N-[2-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]propanamide Traditional Name: N-[2-[(2-cumidino-2-keto-ethyl)thio]-1,3-benzothiazol-6-yl]propionamide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C21H23N3O2S2/c1-4-19(25)23-16-9-10-17-18(11-16)28-21(24-17)27-12-20(26)22-15-7-5-14(6-8-15)13(2)3/h5-11,13H,4,12H2,1-3H3,(H,22,26)(H,23,25)