N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-methyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-methyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-methyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-keto-3-methyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H26N4O4S2 MolecularWeight: 486.60694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H26N4O4S2/c1-15-7-9-17(14-20(15)33(30,31)27-11-5-3-4-6-12-27)24-21(28)16-8-10-18-19(13-16)25-23(32)26(2)22(18)29/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,24,28)(H,25,32)