N-(2-acetamidoethyl)-4-[(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide

Systemtic Name: N-(2-acetamidoethyl)-4-[(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide Openeye Name: N-(2-acetamidoethyl)-4-[(4-oxo-2-thioxo-1H-quinazolin-3-yl)methyl]cyclohexanecarboxamide CAS Name: N-(2-acetamidoethyl)-4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-1-cyclohexanecarboxamide IUPAC Name: N-(2-acetamidoethyl)-4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide Traditional Name: N-(2-acetamidoethyl)-4-[(4-keto-2-thioxo-1H-quinazolin-3-yl)methyl]cyclohexanecarboxamide Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC(=O)C1CCC(CC1)CN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CC(=O)NCCNC(=O)C1CCC(CC1)CN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C20H26N4O3S/c1-13(25)21-10-11-22-18(26)15-8-6-14(7-9-15)12-24-19(27)16-4-2-3-5-17(16)23-20(24)28/h2-5,14-15H,6-12H2,1H3,(H,21,25)(H,22,26)(H,23,28)