N-[2-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-(2-methyl-4-nitro-imidazol-1-yl)propanamide

Systemtic Name: N-[2-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-(2-methyl-4-nitro-imidazol-1-yl)propanamide Openeye Name: N-[2-[2-(diethylamino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-(2-methyl-4-nitro-imidazol-1-yl)propanamide CAS Name: N-[2-[[2-(diethylamino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-3-(2-methyl-4-nitro-1-imidazolyl)propanamide IUPAC Name: N-[2-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-(2-methyl-4-nitroimidazol-1-yl)propanamide Traditional Name: N-[2-[[2-(diethylamino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-3-(2-methyl-4-nitro-imidazol-1-yl)propionamide Formula: C20H24N6O4S2 MolecularWeight: 476.57236

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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=C(N=C3C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCN3C=C(N=C3C)[N+](=O)[O-]

InChI

InChI=1S/C20H24N6O4S2/c1-4-24(5-2)19(28)12-31-20-23-15-7-6-14(10-16(15)32-20)22-18(27)8-9-25-11-17(26(29)30)21-13(25)3/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,22,27)