N-[(2S)-butan-2-yl]-3-[(2-methoxyphenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[(2S)-butan-2-yl]-3-[(2-methoxyphenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-[(2-methoxyphenyl)methyl]-N-[(1S)-1-methylpropyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[(2S)-butan-2-yl]-3-[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[(2S)-butan-2-yl]-3-[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-N-[(1S)-1-methylpropyl]-3-o-anisyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=CC=C3OC

Isomeric SMILES

CC[C@H](C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=CC=C3OC

InChI

InChI=1S/C21H23N3O3S/c1-4-13(2)22-19(25)14-9-10-16-17(11-14)23-21(28)24(20(16)26)12-15-7-5-6-8-18(15)27-3/h5-11,13H,4,12H2,1-3H3,(H,22,25)(H,23,28)/t13-/m0/s1