N-[2-[(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)amino]-2-oxidanylidene-ethyl]-3-methyl-butanamide

Systemtic Name: N-[2-[(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)amino]-2-oxidanylidene-ethyl]-3-methyl-butanamide Openeye Name: N-[2-[(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)amino]-2-oxo-ethyl]-3-methyl-butanamide CAS Name: N-[2-[[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]amino]-2-oxoethyl]-3-methylbutanamide IUPAC Name: N-[2-[(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]-3-methylbutanamide Traditional Name: N-[2-[[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]amino]-2-keto-ethyl]-3-methyl-butyramide Formula: C21H27N3O2S2 MolecularWeight: 417.58798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2S2/c1-4-5-6-7-8-11-27-21-24-17-10-9-16(13-18(17)28-21)23-20(26)14-22-19(25)12-15(2)3/h9-10,13,15H,4-5,8,11-12,14H2,1-3H3,(H,22,25)(H,23,26)