O-methyl N-[3-[6-(methoxycarbothioylamino)-4-oxidanylidene-3-phenyl-quinazolin-2-yl]phenyl]carbamothioate

Systemtic Name: O-methyl N-[3-[6-(methoxycarbothioylamino)-4-oxidanylidene-3-phenyl-quinazolin-2-yl]phenyl]carbamothioate Openeye Name: O-methyl N-[3-[6-(methoxycarbothioylamino)-4-oxo-3-phenyl-quinazolin-2-yl]phenyl]carbamothioate CAS Name: N-[3-[6-[[methoxy(sulfanylidene)methyl]amino]-4-oxo-3-phenyl-2-quinazolinyl]phenyl]carbamothioic acid O-methyl ester IUPAC Name: O-methyl N-[3-[6-(methoxycarbothioylamino)-4-oxo-3-phenylquinazolin-2-yl]phenyl]carbamothioate Traditional Name: N-[4-keto-2-[3-(methoxycarbothioylamino)phenyl]-3-phenyl-quinazolin-6-yl]thiocarbamic acid O-methyl ester Formula: C24H20N4O3S2 MolecularWeight: 476.5706

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Descriptors Computed from Structure

Canonical SMILES:

COC(=S)NC1=CC2=C(C=C1)N=C(N(C2=O)C3=CC=CC=C3)C4=CC(=CC=C4)NC(=S)OC

Isomeric SMILES

COC(=S)NC1=CC2=C(C=C1)N=C(N(C2=O)C3=CC=CC=C3)C4=CC(=CC=C4)NC(=S)OC

InChI

InChI=1S/C24H20N4O3S2/c1-30-23(32)25-16-8-6-7-15(13-16)21-27-20-12-11-17(26-24(33)31-2)14-19(20)22(29)28(21)18-9-4-3-5-10-18/h3-14H,1-2H3,(H,25,32)(H,26,33)