N-(cyclohexylmethyl)-4-oxidanylidene-3-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(cyclohexylmethyl)-4-oxidanylidene-3-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-benzyl-N-(cyclohexylmethyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(cyclohexylmethyl)-4-oxo-3-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-benzyl-N-(cyclohexylmethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-benzyl-N-(cyclohexylmethyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O2S/c27-21(24-14-16-7-3-1-4-8-16)18-11-12-19-20(13-18)25-23(29)26(22(19)28)15-17-9-5-2-6-10-17/h2,5-6,9-13,16H,1,3-4,7-8,14-15H2,(H,24,27)(H,25,29)