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

Systemtic Name: 12-oxidanylidene-N-(2-thiophen-3-ylethyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Openeye Name: 12-oxo-N-[2-(3-thienyl)ethyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide CAS Name: 12-oxo-N-[2-(3-thiophenyl)ethyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide IUPAC Name: 12-oxo-N-(2-thiophen-3-ylethyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Traditional Name: 12-keto-N-[2-(3-thienyl)ethyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=CC(=C3)C(=O)NCCC4=CSC=C4)C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=CC(=C3)C(=O)NCCC4=CSC=C4)C(=O)N2CC1

InChI

InChI=1S/C20H21N3O2S/c24-19(21-9-7-14-8-11-26-13-14)15-5-6-16-17(12-15)22-18-4-2-1-3-10-23(18)20(16)25/h5-6,8,11-13H,1-4,7,9-10H2,(H,21,24)