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

Systemtic Name: N-(3-aminocarbonylthiophen-2-yl)-12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Openeye Name: N-(3-carbamoyl-2-thienyl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide CAS Name: N-(3-carbamoyl-2-thiophenyl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide IUPAC Name: N-(3-carbamoylthiophen-2-yl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Traditional Name: N-(3-carbamoyl-2-thienyl)-12-keto-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=CC(=C3)C(=O)NC4=C(C=CS4)C(=O)N)C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=CC(=C3)C(=O)NC4=C(C=CS4)C(=O)N)C(=O)N2CC1

InChI

InChI=1S/C19H18N4O3S/c20-16(24)13-7-9-27-18(13)22-17(25)11-5-6-12-14(10-11)21-15-4-2-1-3-8-23(15)19(12)26/h5-7,9-10H,1-4,8H2,(H2,20,24)(H,22,25)