N-(2-chloranyl-6-methyl-phenyl)-2-[1-(4-nitrophenyl)ethylcarbamoylamino]-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-(2-chloranyl-6-methyl-phenyl)-2-[1-(4-nitrophenyl)ethylcarbamoylamino]-1,3-benzothiazole-6-carboxamide Openeye Name: N-(2-chloro-6-methyl-phenyl)-2-[1-(4-nitrophenyl)ethylcarbamoylamino]-1,3-benzothiazole-6-carboxamide CAS Name: N-(2-chloro-6-methylphenyl)-2-[[[1-(4-nitrophenyl)ethylamino]-oxomethyl]amino]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[1-(4-nitrophenyl)ethylcarbamoylamino]-1,3-benzothiazole-6-carboxamide Traditional Name: N-(2-chloro-6-methyl-phenyl)-2-[1-(4-nitrophenyl)ethylcarbamoylamino]-1,3-benzothiazole-6-carboxamide Formula: C24H20ClN5O4S MolecularWeight: 509.9647

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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)NC(C)C4=CC=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)NC(C)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H20ClN5O4S/c1-13-4-3-5-18(25)21(13)28-22(31)16-8-11-19-20(12-16)35-24(27-19)29-23(32)26-14(2)15-6-9-17(10-7-15)30(33)34/h3-12,14H,1-2H3,(H,28,31)(H2,26,27,29,32)