N-[2-chloranyl-5-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[2-chloranyl-5-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[2-chloro-5-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide CAS Name: N-[2-chloro-5-[[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-oxomethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[2-chloro-5-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[2-chloro-5-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide Formula: C21H16ClN3O2S2 MolecularWeight: 441.95364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=CC(=C(C=C3)Cl)NC(=O)C4=CC=CS4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=CC(=C(C=C3)Cl)NC(=O)C4=CC=CS4)C

InChI

InChI=1S/C21H16ClN3O2S2/c1-11-8-12(2)18-17(9-11)29-21(24-18)25-19(26)13-5-6-14(22)15(10-13)23-20(27)16-4-3-7-28-16/h3-10H,1-2H3,(H,23,27)(H,24,25,26)