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

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

Systemtic Name:4-oxidanylidene-N-[2-(phenylmethylsulfanyl)ethyl]-3-propyl-2-sulfanylidene-1H-quinazoline-7-carboxamide
Openeye Name:N-(2-benzylsulfanylethyl)-4-oxo-3-propyl-2-thioxo-1H-quinazoline-7-carboxamide
CAS Name:4-oxo-N-[2-(phenylmethylthio)ethyl]-3-propyl-2-sulfanylidene-1H-quinazoline-7-carboxamide
IUPAC Name:N-(2-benzylsulfanylethyl)-4-oxo-3-propyl-2-sulfanylidene-1H-quinazoline-7-carboxamide
Traditional Name:N-[2-(benzylthio)ethyl]-4-keto-3-propyl-2-thioxo-1H-quinazoline-7-carboxamide
Formula: C21H23N3O2S2
MolecularWeight: 413.55622
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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCSCC3=CC=CC=C3)NC1=S


Isomeric SMILES

CCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCSCC3=CC=CC=C3)NC1=S


InChI

InChI=1S/C21H23N3O2S2/c1-2-11-24-20(26)17-9-8-16(13-18(17)23-21(24)27)19(25)22-10-12-28-14-15-6-4-3-5-7-15/h3-9,13H,2,10-12,14H2,1H3,(H,22,25)(H,23,27)


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