N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1,3-benzothiazole-6-carboxamide Openeye Name: N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1,3-benzothiazole-6-carboxamide CAS Name: N-cyclopropyl-N-[[4-[(cyclopropylamino)-oxomethyl]phenyl]methyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1,3-benzothiazole-6-carboxamide Traditional Name: N-cyclopropyl-N-[4-(cyclopropylcarbamoyl)benzyl]-1,3-benzothiazole-6-carboxamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC=C(C=C2)CN(C3CC3)C(=O)C4=CC5=C(C=C4)N=CS5

Isomeric SMILES

C1CC1NC(=O)C2=CC=C(C=C2)CN(C3CC3)C(=O)C4=CC5=C(C=C4)N=CS5

InChI

InChI=1S/C22H21N3O2S/c26-21(24-17-6-7-17)15-3-1-14(2-4-15)12-25(18-8-9-18)22(27)16-5-10-19-20(11-16)28-13-23-19/h1-5,10-11,13,17-18H,6-9,12H2,(H,24,26)