N-(2-aminocarbonylphenyl)-3-azanyl-4-(1,3-benzothiazol-2-yl)-5-[(2,3-dimethylphenyl)amino]thiophene-2-carboxamide

Systemtic Name: N-(2-aminocarbonylphenyl)-3-azanyl-4-(1,3-benzothiazol-2-yl)-5-[(2,3-dimethylphenyl)amino]thiophene-2-carboxamide Openeye Name: 3-amino-4-(1,3-benzothiazol-2-yl)-N-(2-carbamoylphenyl)-5-(2,3-dimethylanilino)thiophene-2-carboxamide CAS Name: 3-amino-4-(1,3-benzothiazol-2-yl)-N-(2-carbamoylphenyl)-5-(2,3-dimethylanilino)-2-thiophenecarboxamide IUPAC Name: 3-amino-4-(1,3-benzothiazol-2-yl)-N-(2-carbamoylphenyl)-5-(2,3-dimethylanilino)thiophene-2-carboxamide Traditional Name: 3-amino-4-(1,3-benzothiazol-2-yl)-N-(2-carbamoylphenyl)-5-(2,3-dimethylanilino)thiophene-2-carboxamide Formula: C27H23N5O2S2 MolecularWeight: 513.63382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=C(C(=C(S2)C(=O)NC3=CC=CC=C3C(=O)N)N)C4=NC5=CC=CC=C5S4)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=C(C(=C(S2)C(=O)NC3=CC=CC=C3C(=O)N)N)C4=NC5=CC=CC=C5S4)C

InChI

InChI=1S/C27H23N5O2S2/c1-14-8-7-12-17(15(14)2)31-27-21(26-32-19-11-5-6-13-20(19)35-26)22(28)23(36-27)25(34)30-18-10-4-3-9-16(18)24(29)33/h3-13,31H,28H2,1-2H3,(H2,29,33)(H,30,34)