N-[(4-tert-butylphenyl)methyl]-3-(3-methoxypropyl)-N-methyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[(4-tert-butylphenyl)methyl]-3-(3-methoxypropyl)-N-methyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[(4-tert-butylphenyl)methyl]-3-(3-methoxypropyl)-N-methyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[(4-tert-butylphenyl)methyl]-3-(3-methoxypropyl)-N-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[(4-tert-butylphenyl)methyl]-3-(3-methoxypropyl)-N-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(4-tert-butylbenzyl)-4-keto-3-(3-methoxypropyl)-N-methyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C25H31N3O3S MolecularWeight: 453.59694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN(C)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCCOC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN(C)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCCOC

InChI

InChI=1S/C25H31N3O3S/c1-25(2,3)19-10-7-17(8-11-19)16-27(4)22(29)18-9-12-20-21(15-18)26-24(32)28(23(20)30)13-6-14-31-5/h7-12,15H,6,13-14,16H2,1-5H3,(H,26,32)