4-(1H-indol-3-yl)-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-5-one

Systemtic Name: 4-(1H-indol-3-yl)-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-5-one Openeye Name: 4-(1H-indol-3-yl)-2-thioxo-1,3,4,6,7,8-hexahydroquinazolin-5-one CAS Name: 4-(1H-indol-3-yl)-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-5-one IUPAC Name: 4-(1H-indol-3-yl)-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-5-one Traditional Name: 4-(1H-indol-3-yl)-2-thioxo-1,3,4,6,7,8-hexahydroquinazolin-5-one Formula: C16H15N3OS MolecularWeight: 297.3748

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(NC(=S)N2)C3=CNC4=CC=CC=C43)C(=O)C1

Isomeric SMILES

C1CC2=C(C(NC(=S)N2)C3=CNC4=CC=CC=C43)C(=O)C1

InChI

InChI=1S/C16H15N3OS/c20-13-7-3-6-12-14(13)15(19-16(21)18-12)10-8-17-11-5-2-1-4-9(10)11/h1-2,4-5,8,15,17H,3,6-7H2,(H2,18,19,21)