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

Systemtic Name: N-(2-chloranyl-6-methyl-phenyl)-2-[(4-nitrophenyl)methylcarbamoylamino]-1,3-benzothiazole-6-carboxamide Openeye Name: N-(2-chloro-6-methyl-phenyl)-2-[(4-nitrophenyl)methylcarbamoylamino]-1,3-benzothiazole-6-carboxamide CAS Name: N-(2-chloro-6-methylphenyl)-2-[[[(4-nitrophenyl)methylamino]-oxomethyl]amino]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[(4-nitrophenyl)methylcarbamoylamino]-1,3-benzothiazole-6-carboxamide Traditional Name: N-(2-chloro-6-methyl-phenyl)-2-[(4-nitrobenzyl)carbamoylamino]-1,3-benzothiazole-6-carboxamide Formula: C23H18ClN5O4S MolecularWeight: 495.93812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)NCC4=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)NCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H18ClN5O4S/c1-13-3-2-4-17(24)20(13)27-21(30)15-7-10-18-19(11-15)34-23(26-18)28-22(31)25-12-14-5-8-16(9-6-14)29(32)33/h2-11H,12H2,1H3,(H,27,30)(H2,25,26,28,31)