N-[(1R)-2-methyl-1-thiophen-2-yl-propyl]-12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide

Systemtic Name: N-[(1R)-2-methyl-1-thiophen-2-yl-propyl]-12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Openeye Name: N-[(1R)-2-methyl-1-(2-thienyl)propyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide CAS Name: N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide IUPAC Name: N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Traditional Name: 12-keto-N-[(1R)-2-methyl-1-(2-thienyl)propyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=CS1)NC(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3

Isomeric SMILES

CC(C)[C@H](C1=CC=CS1)NC(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3

InChI

InChI=1S/C22H25N3O2S/c1-14(2)20(18-7-6-12-28-18)24-21(26)15-9-10-16-17(13-15)23-19-8-4-3-5-11-25(19)22(16)27/h6-7,9-10,12-14,20H,3-5,8,11H2,1-2H3,(H,24,26)/t20-/m1/s1