N-(2-diethylaminoethyl)-3-(4-methoxyphenyl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: N-(2-diethylaminoethyl)-3-(4-methoxyphenyl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide Openeye Name: N-(2-diethylaminoethyl)-3-(4-methoxyphenyl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide CAS Name: N-(2-diethylaminoethyl)-3-[(4-methoxyphenyl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide IUPAC Name: N-(2-diethylaminoethyl)-3-(4-methoxyphenyl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide Traditional Name: N-(2-diethylaminoethyl)-3-[(4-methoxyphenyl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)propionamide Formula: C23H28N4O4S2 MolecularWeight: 488.62282

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])C(=O)CCSC3=CC=C(C=C3)OC

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])C(=O)CCSC3=CC=C(C=C3)OC

InChI

InChI=1S/C23H28N4O4S2/c1-4-25(5-2)13-14-26(22(28)12-15-32-19-9-7-18(31-3)8-10-19)23-24-20-11-6-17(27(29)30)16-21(20)33-23/h6-11,16H,4-5,12-15H2,1-3H3