N-(6-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3,5-dinitro-benzamide

Systemtic Name: N-(6-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3,5-dinitro-benzamide Openeye Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3,5-dinitro-benzamide CAS Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3,5-dinitrobenzamide IUPAC Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3,5-dinitrobenzamide Traditional Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3,5-dinitro-benzamide Formula: C20H20ClN5O5S MolecularWeight: 477.9213

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1N=C(S2)N(CCCN(C)C)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC(=CC2=C1N=C(S2)N(CCCN(C)C)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C20H20ClN5O5S/c1-12-7-14(21)10-17-18(12)22-20(32-17)24(6-4-5-23(2)3)19(27)13-8-15(25(28)29)11-16(9-13)26(30)31/h7-11H,4-6H2,1-3H3