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

Systemtic Name: N-[2-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]propanamide Openeye Name: N-[2-[2-(2,6-diethylanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]propanamide CAS Name: N-[2-[[2-(2,6-diethylanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]propanamide IUPAC Name: N-[2-[2-(2,6-diethylanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]propanamide Traditional Name: N-[2-[[2-(2,6-diethylanilino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]propionamide Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)CC

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)CC

InChI

InChI=1S/C22H25N3O2S2/c1-4-14-8-7-9-15(5-2)21(14)25-20(27)13-28-22-24-17-11-10-16(12-18(17)29-22)23-19(26)6-3/h7-12H,4-6,13H2,1-3H3,(H,23,26)(H,25,27)