5-ethynyl-N-[1-[[4-[(7E)-7-hydroxyimino-1,4-diazepan-1-yl]-3-methyl-phenyl]amino]-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide

Systemtic Name: 5-ethynyl-N-[1-[[4-[(7E)-7-hydroxyimino-1,4-diazepan-1-yl]-3-methyl-phenyl]amino]-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide Openeye Name: 5-ethynyl-N-[2-[4-[(7E)-7-hydroxyimino-1,4-diazepan-1-yl]-3-methyl-anilino]-1-methyl-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: 5-ethynyl-N-[1-[4-[(7E)-7-hydroxyimino-1,4-diazepan-1-yl]-3-methylanilino]-1-oxopropan-2-yl]-2-thiophenecarboxamide IUPAC Name: 5-ethynyl-N-[1-[4-[(7E)-7-hydroxyimino-1,4-diazepan-1-yl]-3-methylanilino]-1-oxopropan-2-yl]thiophene-2-carboxamide Traditional Name: 5-ethynyl-N-[2-[4-[(7E)-7-hydroximino-1,4-diazepan-1-yl]-3-methyl-anilino]-2-keto-1-methyl-ethyl]thiophene-2-carboxamide Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C(C)NC(=O)C2=CC=C(S2)C#C)N3CCNCCC3=NO

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C(C)NC(=O)C2=CC=C(S2)C#C)N\3CCNCC/C3=N\O

InChI

InChI=1S/C22H25N5O3S/c1-4-17-6-8-19(31-17)22(29)24-15(3)21(28)25-16-5-7-18(14(2)13-16)27-12-11-23-10-9-20(27)26-30/h1,5-8,13,15,23,30H,9-12H2,2-3H3,(H,24,29)(H,25,28)/b26-20+