3-(3-methoxypropyl)-N-[2-[(4-nitrophenyl)amino]ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(3-methoxypropyl)-N-[2-[(4-nitrophenyl)amino]ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(3-methoxypropyl)-N-[2-(4-nitroanilino)ethyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(3-methoxypropyl)-N-[2-(4-nitroanilino)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(3-methoxypropyl)-N-[2-(4-nitroanilino)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-(3-methoxypropyl)-N-[2-(4-nitroanilino)ethyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H23N5O5S MolecularWeight: 457.50282

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-])NC1=S

Isomeric SMILES

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-])NC1=S

InChI

InChI=1S/C21H23N5O5S/c1-31-12-2-11-25-20(28)17-8-3-14(13-18(17)24-21(25)32)19(27)23-10-9-22-15-4-6-16(7-5-15)26(29)30/h3-8,13,22H,2,9-12H2,1H3,(H,23,27)(H,24,32)