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

Systemtic Name: N-[2-[(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)amino]-2-oxidanylidene-ethyl]thiophene-2-carboxamide Openeye Name: N-[2-[(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)amino]-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: N-[2-[[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]amino]-2-oxoethyl]-2-thiophenecarboxamide IUPAC Name: N-[2-[(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]thiophene-2-carboxamide Traditional Name: N-[2-[[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]amino]-2-keto-ethyl]thiophene-2-carboxamide Formula: C21H21N3O2S3 MolecularWeight: 443.60534

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CNC(=O)C3=CC=CS3

Isomeric SMILES

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CNC(=O)C3=CC=CS3

InChI

InChI=1S/C21H21N3O2S3/c1-2-3-4-5-6-11-28-21-24-16-10-9-15(13-18(16)29-21)23-19(25)14-22-20(26)17-8-7-12-27-17/h7-10,12-13H,2-3,6,11,14H2,1H3,(H,22,26)(H,23,25)