2-[(4-oxidanylidene-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[(4-oxidanylidene-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-propan-2-yl-ethanamide Openeye Name: 2-[(3-allyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-isopropyl-acetamide CAS Name: 2-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)thio]-N-propan-2-ylacetamide IUPAC Name: 2-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-propan-2-ylacetamide Traditional Name: 2-[(3-allyl-4-keto-5H-pyrimid[5,4-b]indol-2-yl)thio]-N-isopropyl-acetamide Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=NC2=C(C(=O)N1CC=C)NC3=CC=CC=C32

Isomeric SMILES

CC(C)NC(=O)CSC1=NC2=C(C(=O)N1CC=C)NC3=CC=CC=C32

InChI

InChI=1S/C18H20N4O2S/c1-4-9-22-17(24)16-15(12-7-5-6-8-13(12)20-16)21-18(22)25-10-14(23)19-11(2)3/h4-8,11,20H,1,9-10H2,2-3H3,(H,19,23)