N-[2-[(3-ethoxy-4-methoxy-phenyl)methylcarbamoyl]phenyl]-1,2-benzothiazole-3-carboxamide

Systemtic Name: N-[2-[(3-ethoxy-4-methoxy-phenyl)methylcarbamoyl]phenyl]-1,2-benzothiazole-3-carboxamide Openeye Name: N-[2-[(3-ethoxy-4-methoxy-phenyl)methylcarbamoyl]phenyl]-1,2-benzothiazole-3-carboxamide CAS Name: N-[2-[[(3-ethoxy-4-methoxyphenyl)methylamino]-oxomethyl]phenyl]-1,2-benzothiazole-3-carboxamide IUPAC Name: N-[2-[(3-ethoxy-4-methoxyphenyl)methylcarbamoyl]phenyl]-1,2-benzothiazole-3-carboxamide Traditional Name: N-[2-[(3-ethoxy-4-methoxy-benzyl)carbamoyl]phenyl]-1,2-benzothiazole-3-carboxamide Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CNC(=O)C2=CC=CC=C2NC(=O)C3=NSC4=CC=CC=C43)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)CNC(=O)C2=CC=CC=C2NC(=O)C3=NSC4=CC=CC=C43)OC

InChI

InChI=1S/C25H23N3O4S/c1-3-32-21-14-16(12-13-20(21)31-2)15-26-24(29)17-8-4-6-10-19(17)27-25(30)23-18-9-5-7-11-22(18)33-28-23/h4-14H,3,15H2,1-2H3,(H,26,29)(H,27,30)