4-oxidanylidene-N-[(1S)-1-phenylbutyl]-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 4-oxidanylidene-N-[(1S)-1-phenylbutyl]-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-4-oxo-N-[(1S)-1-phenylbutyl]-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-N-[(1S)-1-phenylbutyl]-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 4-oxo-N-[(1S)-1-phenylbutyl]-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-4-keto-N-[(1S)-1-phenylbutyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C

Isomeric SMILES

CCC[C@@H](C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C

InChI

InChI=1S/C22H23N3O2S/c1-3-8-18(15-9-6-5-7-10-15)23-20(26)16-11-12-17-19(14-16)24-22(28)25(13-4-2)21(17)27/h4-7,9-12,14,18H,2-3,8,13H2,1H3,(H,23,26)(H,24,28)/t18-/m0/s1