3-azanyl-N2-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-N4-cyclopropyl-5-(furan-2-ylmethylimino)-2H-thiophene-2,4-dicarboxamide

Systemtic Name: 3-azanyl-N2-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-N4-cyclopropyl-5-(furan-2-ylmethylimino)-2H-thiophene-2,4-dicarboxamide Openeye Name: 3-amino-N2-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-N4-cyclopropyl-5-(2-furylmethylimino)-2H-thiophene-2,4-dicarboxamide CAS Name: 3-amino-N2-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-N4-cyclopropyl-5-(2-furanylmethylimino)-2H-thiophene-2,4-dicarboxamide IUPAC Name: 3-amino-2-N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-4-N-cyclopropyl-5-(furan-2-ylmethylimino)-2H-thiophene-2,4-dicarboxamide Traditional Name: 3-amino-N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-N'-cyclopropyl-5-(2-furfurylimino)-2H-thiophene-2,4-dicarboxamide Formula: C26H30ClN5O5S2 MolecularWeight: 592.1299

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3C(=C(C(=NCC4=CC=CO4)S3)C(=O)NC5CC5)N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3C(=C(C(=NCC4=CC=CO4)S3)C(=O)NC5CC5)N

InChI

InChI=1S/C26H30ClN5O5S2/c27-19-10-9-18(39(35,36)32-11-3-1-2-4-12-32)14-20(19)31-25(34)23-22(28)21(24(33)30-16-7-8-16)26(38-23)29-15-17-6-5-13-37-17/h5-6,9-10,13-14,16,23H,1-4,7-8,11-12,15,28H2,(H,30,33)(H,31,34)