2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-N-[6-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]ethanamide

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-N-[6-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]ethanamide Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-N-[6-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-N-[6-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-N-[6-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-N-[6-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide Formula: C21H29N3O4S2 MolecularWeight: 451.60266

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=C(C=C2)OC)SC1=NC(=O)CSCC(=O)N3CCCCCC3

Isomeric SMILES

COCCN1C2=C(C=C(C=C2)OC)SC1=NC(=O)CSCC(=O)N3CCCCCC3

InChI

InChI=1S/C21H29N3O4S2/c1-27-12-11-24-17-8-7-16(28-2)13-18(17)30-21(24)22-19(25)14-29-15-20(26)23-9-5-3-4-6-10-23/h7-8,13H,3-6,9-12,14-15H2,1-2H3