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

Systemtic Name: N-[3-(dimethylamino)propyl]-3-(4-methylphenyl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide Openeye Name: N-[3-(dimethylamino)propyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-3-(p-tolylsulfanyl)propanamide CAS Name: N-[3-(dimethylamino)propyl]-3-[(4-methylphenyl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide IUPAC Name: N-[3-(dimethylamino)propyl]-3-(4-methylphenyl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide Traditional Name: N-[3-(dimethylamino)propyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-3-(p-tolylthio)propionamide Formula: C22H26N4O3S2 MolecularWeight: 458.59684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)N(CCCN(C)C)C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)N(CCCN(C)C)C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O3S2/c1-16-5-8-18(9-6-16)30-14-11-21(27)25(13-4-12-24(2)3)22-23-19-10-7-17(26(28)29)15-20(19)31-22/h5-10,15H,4,11-14H2,1-3H3