N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-2-(propan-2-ylideneamino)oxy-propanamide

Systemtic Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-2-(propan-2-ylideneamino)oxy-propanamide Openeye Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-2-(isopropylideneamino)oxy-propanamide CAS Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-2-(propan-2-ylideneamino)oxypropanamide IUPAC Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-2-(propan-2-ylideneamino)oxypropanamide Traditional Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-2-(isopropylideneamino)oxy-propionamide Formula: C20H25N3O2S2 MolecularWeight: 403.5614

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C(C)ON=C(C)C

Isomeric SMILES

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C(C)ON=C(C)C

InChI

InChI=1S/C20H25N3O2S2/c1-5-6-7-8-9-12-26-20-22-17-11-10-16(13-18(17)27-20)21-19(24)15(4)25-23-14(2)3/h10-11,13,15H,5-6,9,12H2,1-4H3,(H,21,24)