3-prop-2-enyl-2-sulfanylidene-7-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonylamino)carbamoyl]quinazolin-4-olate

Systemtic Name: 3-prop-2-enyl-2-sulfanylidene-7-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonylamino)carbamoyl]quinazolin-4-olate Openeye Name: 3-allyl-7-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)carbamoyl]-2-thioxo-quinazolin-4-olate CAS Name: 7-[oxo-[[oxo(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]hydrazo]methyl]-3-prop-2-enyl-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-prop-2-enyl-2-sulfanylidene-7-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)carbamoyl]quinazolin-4-olate Traditional Name: 3-allyl-7-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)carbamoyl]-2-thioxo-quinazolin-4-olate Formula: C22H21N4O3S2- MolecularWeight: 453.55714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)NNC(=O)C3=CC4=C(S3)CCCCC4)[O-]

Isomeric SMILES

C=CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)NNC(=O)C3=CC4=C(S3)CCCCC4)[O-]

InChI

InChI=1S/C22H22N4O3S2/c1-2-10-26-21(29)15-9-8-14(11-16(15)23-22(26)30)19(27)24-25-20(28)18-12-13-6-4-3-5-7-17(13)31-18/h2,8-9,11-12,29H,1,3-7,10H2,(H,24,27)(H,25,28)/p-1