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

Systemtic Name: N-[(1S)-1-(3-chlorophenyl)ethyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-[(1S)-1-(3-chlorophenyl)ethyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[(1S)-1-(3-chlorophenyl)ethyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[(1S)-1-(3-chlorophenyl)ethyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-N-[(1S)-1-(3-chlorophenyl)ethyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H18ClN3O2S MolecularWeight: 399.89382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O2S/c1-3-9-24-19(26)16-8-7-14(11-17(16)23-20(24)27)18(25)22-12(2)13-5-4-6-15(21)10-13/h3-8,10-12H,1,9H2,2H3,(H,22,25)(H,23,27)/t12-/m0/s1