N-cyclopropyl-3-[2-(3,6-dimethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]benzamide

Systemtic Name: N-cyclopropyl-3-[2-(3,6-dimethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]benzamide Openeye Name: N-cyclopropyl-3-[[2-(3,6-dimethyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]benzamide CAS Name: N-cyclopropyl-3-[[2-[(3,6-dimethyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-cyclopropyl-3-[[2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]benzamide Traditional Name: N-cyclopropyl-3-[[2-[(4-keto-3,6-dimethyl-quinazolin-2-yl)thio]acetyl]amino]benzamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SCC(=O)NC3=CC=CC(=C3)C(=O)NC4CC4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SCC(=O)NC3=CC=CC(=C3)C(=O)NC4CC4

InChI

InChI=1S/C22H22N4O3S/c1-13-6-9-18-17(10-13)21(29)26(2)22(25-18)30-12-19(27)23-16-5-3-4-14(11-16)20(28)24-15-7-8-15/h3-6,9-11,15H,7-8,12H2,1-2H3,(H,23,27)(H,24,28)