N-(2-dimethylaminoethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide hydrochloride

Systemtic Name: N-(2-dimethylaminoethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide hydrochloride Openeye Name: N-(2-dimethylaminoethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide hydrochloride CAS Name: N-(2-dimethylaminoethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide hydrochloride IUPAC Name: N-(2-dimethylaminoethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide hydrochloride Traditional Name: N-(2-dimethylaminoethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide hydrochloride Formula: C19H20ClN5O5S MolecularWeight: 465.9106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N(CCN(C)C)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-].Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N(CCN(C)C)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-].Cl

InChI

InChI=1S/C19H19N5O5S.ClH/c1-12-4-5-16-17(8-12)30-19(20-16)22(7-6-21(2)3)18(25)13-9-14(23(26)27)11-15(10-13)24(28)29;/h4-5,8-11H,6-7H2,1-3H3;1H