N-(2-dimethylaminoethyl)-3-ethylsulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: N-(2-dimethylaminoethyl)-3-ethylsulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Openeye Name: N-(2-dimethylaminoethyl)-3-ethylsulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide CAS Name: N-(2-dimethylaminoethyl)-3-(ethylthio)-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide IUPAC Name: N-(2-dimethylaminoethyl)-3-ethylsulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Traditional Name: N-(2-dimethylaminoethyl)-3-(ethylthio)-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Formula: C20H22N4O3S2 MolecularWeight: 430.54368

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC(=C1)C(=O)N(CCN(C)C)C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCSC1=CC=CC(=C1)C(=O)N(CCN(C)C)C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O3S2/c1-4-28-16-7-5-6-14(12-16)19(25)23(11-10-22(2)3)20-21-17-9-8-15(24(26)27)13-18(17)29-20/h5-9,12-13H,4,10-11H2,1-3H3