dimethyl-[3-[2-oxidanylidene-4-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-5,6,7,8-tetrahydroquinazolin-1-yl]propyl]azanium

Systemtic Name: dimethyl-[3-[2-oxidanylidene-4-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-5,6,7,8-tetrahydroquinazolin-1-yl]propyl]azanium Openeye Name: 3-[4-(2-anilino-2-oxo-ethyl)sulfanyl-2-oxo-5,6,7,8-tetrahydroquinazolin-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[4-[(2-anilino-2-oxoethyl)thio]-2-oxo-5,6,7,8-tetrahydroquinazolin-1-yl]propyl-dimethylammonium IUPAC Name: 3-[4-(2-anilino-2-oxoethyl)sulfanyl-2-oxo-5,6,7,8-tetrahydroquinazolin-1-yl]propyl-dimethylazanium Traditional Name: 3-[4-[(2-anilino-2-keto-ethyl)thio]-2-keto-5,6,7,8-tetrahydroquinazolin-1-yl]propyl-dimethyl-ammonium Formula: C21H29N4O2S+ MolecularWeight: 401.54556

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C2=C(CCCC2)C(=NC1=O)SCC(=O)NC3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCCN1C2=C(CCCC2)C(=NC1=O)SCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H28N4O2S/c1-24(2)13-8-14-25-18-12-7-6-11-17(18)20(23-21(25)27)28-15-19(26)22-16-9-4-3-5-10-16/h3-5,9-10H,6-8,11-15H2,1-2H3,(H,22,26)/p+1