N-(2-chloranyl-6-methyl-phenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylcarbamoylamino]-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-(2-chloranyl-6-methyl-phenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylcarbamoylamino]-1,3-benzothiazole-6-carboxamide Openeye Name: N-(2-chloro-6-methyl-phenyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylcarbamoylamino]-1,3-benzothiazole-6-carboxamide CAS Name: N-(2-chloro-6-methylphenyl)-2-[[[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-oxomethyl]amino]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylcarbamoylamino]-1,3-benzothiazole-6-carboxamide Traditional Name: N-(2-chloro-6-methyl-phenyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylcarbamoylamino]-1,3-benzothiazole-6-carboxamide Formula: C23H20ClN7O4S MolecularWeight: 525.9674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)NCCNC4=NC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)NCCNC4=NC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H20ClN7O4S/c1-13-3-2-4-16(24)20(13)29-21(32)14-5-7-17-18(11-14)36-23(28-17)30-22(33)26-10-9-25-19-8-6-15(12-27-19)31(34)35/h2-8,11-12H,9-10H2,1H3,(H,25,27)(H,29,32)(H2,26,28,30,33)