N-[1-(3-benzamidophenyl)ethyl]-3-ethyl-N-methyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[1-(3-benzamidophenyl)ethyl]-3-ethyl-N-methyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[1-(3-benzamidophenyl)ethyl]-3-ethyl-N-methyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[1-(3-benzamidophenyl)ethyl]-3-ethyl-N-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[1-(3-benzamidophenyl)ethyl]-3-ethyl-N-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[1-(3-benzamidophenyl)ethyl]-3-ethyl-4-keto-N-methyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C27H26N4O3S MolecularWeight: 486.58534

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)C(=O)N(C)C(C)C3=CC(=CC=C3)NC(=O)C4=CC=CC=C4)NC1=S

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)N(C)C(C)C3=CC(=CC=C3)NC(=O)C4=CC=CC=C4)NC1=S

InChI

InChI=1S/C27H26N4O3S/c1-4-31-26(34)22-14-13-20(16-23(22)29-27(31)35)25(33)30(3)17(2)19-11-8-12-21(15-19)28-24(32)18-9-6-5-7-10-18/h5-17H,4H2,1-3H3,(H,28,32)(H,29,35)