4-azanyl-5-(4-chlorophenyl)carbonyl-2-(cyclohexylamino)-N-cyclopropyl-thiophene-3-carboxamide

Systemtic Name: 4-azanyl-5-(4-chlorophenyl)carbonyl-2-(cyclohexylamino)-N-cyclopropyl-thiophene-3-carboxamide Openeye Name: 4-amino-5-(4-chlorobenzoyl)-2-(cyclohexylamino)-N-cyclopropyl-thiophene-3-carboxamide CAS Name: 4-amino-5-[(4-chlorophenyl)-oxomethyl]-2-(cyclohexylamino)-N-cyclopropyl-3-thiophenecarboxamide IUPAC Name: 4-amino-5-(4-chlorobenzoyl)-2-(cyclohexylamino)-N-cyclopropylthiophene-3-carboxamide Traditional Name: 4-amino-5-(4-chlorobenzoyl)-2-(cyclohexylamino)-N-cyclopropyl-thiophene-3-carboxamide Formula: C21H24ClN3O2S MolecularWeight: 417.95216

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=C(C(=C(S2)C(=O)C3=CC=C(C=C3)Cl)N)C(=O)NC4CC4

Isomeric SMILES

C1CCC(CC1)NC2=C(C(=C(S2)C(=O)C3=CC=C(C=C3)Cl)N)C(=O)NC4CC4

InChI

InChI=1S/C21H24ClN3O2S/c22-13-8-6-12(7-9-13)18(26)19-17(23)16(20(27)24-15-10-11-15)21(28-19)25-14-4-2-1-3-5-14/h6-9,14-15,25H,1-5,10-11,23H2,(H,24,27)