N-[[3-(cyclopropylcarbonylamino)phenyl]methyl]-3-(2,3-dimethylphenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[[3-(cyclopropylcarbonylamino)phenyl]methyl]-3-(2,3-dimethylphenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3-(2,3-dimethylphenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[[3-[[cyclopropyl(oxo)methyl]amino]phenyl]methyl]-3-(2,3-dimethylphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3-(2,3-dimethylphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[3-(cyclopropanecarbonylamino)benzyl]-3-(2,3-dimethylphenyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C28H26N4O3S MolecularWeight: 498.59604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC(=CC=C4)NC(=O)C5CC5)NC2=S)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC(=CC=C4)NC(=O)C5CC5)NC2=S)C

InChI

InChI=1S/C28H26N4O3S/c1-16-5-3-8-24(17(16)2)32-27(35)22-12-11-20(14-23(22)31-28(32)36)25(33)29-15-18-6-4-7-21(13-18)30-26(34)19-9-10-19/h3-8,11-14,19H,9-10,15H2,1-2H3,(H,29,33)(H,30,34)(H,31,36)