N-[3-(dimethylamino)propyl]-3-(4-methoxyphenyl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: N-[3-(dimethylamino)propyl]-3-(4-methoxyphenyl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide Openeye Name: N-[3-(dimethylamino)propyl]-3-(4-methoxyphenyl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide CAS Name: N-[3-(dimethylamino)propyl]-3-[(4-methoxyphenyl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide IUPAC Name: N-[3-(dimethylamino)propyl]-3-(4-methoxyphenyl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide Traditional Name: N-[3-(dimethylamino)propyl]-3-[(4-methoxyphenyl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)propionamide Formula: C22H26N4O4S2 MolecularWeight: 474.59624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O4S2/c1-24(2)12-4-13-25(21(27)11-14-31-18-8-6-17(30-3)7-9-18)22-23-19-10-5-16(26(28)29)15-20(19)32-22/h5-10,15H,4,11-14H2,1-3H3