7-[[(2S)-2-morpholin-4-yl-2-thiophen-2-yl-ethyl]carbamoyl]-3-prop-2-enyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 7-[[(2S)-2-morpholin-4-yl-2-thiophen-2-yl-ethyl]carbamoyl]-3-prop-2-enyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-allyl-7-[[(2S)-2-morpholino-2-(2-thienyl)ethyl]carbamoyl]-2-thioxo-quinazolin-4-olate CAS Name: 7-[[[(2S)-2-(4-morpholinyl)-2-thiophen-2-ylethyl]amino]-oxomethyl]-3-prop-2-enyl-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]carbamoyl]-3-prop-2-enyl-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-allyl-7-[[(2S)-2-morpholino-2-(2-thienyl)ethyl]carbamoyl]-2-thioxo-quinazolin-4-olate Formula: C22H23N4O3S2- MolecularWeight: 455.57302

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)NCC(C3=CC=CS3)N4CCOCC4)[O-]

Isomeric SMILES

C=CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)NC[C@@H](C3=CC=CS3)N4CCOCC4)[O-]

InChI

InChI=1S/C22H24N4O3S2/c1-2-7-26-21(28)16-6-5-15(13-17(16)24-22(26)30)20(27)23-14-18(19-4-3-12-31-19)25-8-10-29-11-9-25/h2-6,12-13,18,28H,1,7-11,14H2,(H,23,27)/p-1/t18-/m0/s1