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

Systemtic Name: N-[2-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-(2-methylimidazol-1-yl)propanamide Openeye Name: N-[2-[2-(diethylamino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-(2-methylimidazol-1-yl)propanamide CAS Name: N-[2-[[2-(diethylamino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-3-(2-methyl-1-imidazolyl)propanamide IUPAC Name: N-[2-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-(2-methylimidazol-1-yl)propanamide Traditional Name: N-[2-[[2-(diethylamino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-3-(2-methylimidazol-1-yl)propionamide Formula: C20H25N5O2S2 MolecularWeight: 431.5748

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCN3C=CN=C3C

Isomeric SMILES

CCN(CC)C(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCN3C=CN=C3C

InChI

InChI=1S/C20H25N5O2S2/c1-4-24(5-2)19(27)13-28-20-23-16-7-6-15(12-17(16)29-20)22-18(26)8-10-25-11-9-21-14(25)3/h6-7,9,11-12H,4-5,8,10,13H2,1-3H3,(H,22,26)