N-(6-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3-nitro-benzamide

Systemtic Name: N-(6-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3-nitro-benzamide Openeye Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3-nitro-benzamide CAS Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3-nitrobenzamide IUPAC Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3-nitrobenzamide Traditional Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-3-nitro-benzamide Formula: C21H23ClN4O3S MolecularWeight: 446.95032

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2C)Cl)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2C)Cl)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23ClN4O3S/c1-4-24(5-2)9-10-25(20(27)15-7-6-8-17(12-15)26(28)29)21-23-19-14(3)11-16(22)13-18(19)30-21/h6-8,11-13H,4-5,9-10H2,1-3H3