N-[4-[2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]phenyl]butanamide

Systemtic Name: N-[4-[2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]phenyl]butanamide Openeye Name: N-[4-[2-(7-chloro-3-isopentyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]phenyl]butanamide CAS Name: N-[4-[2-[[7-chloro-3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]phenyl]butanamide IUPAC Name: N-[4-[2-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]phenyl]butanamide Traditional Name: N-[4-[2-[(7-chloro-3-isoamyl-4-keto-quinazolin-2-yl)thio]acetyl]phenyl]butyramide Formula: C25H28ClN3O3S MolecularWeight: 486.02612

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCC(C)C

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCC(C)C

InChI

InChI=1S/C25H28ClN3O3S/c1-4-5-23(31)27-19-9-6-17(7-10-19)22(30)15-33-25-28-21-14-18(26)8-11-20(21)24(32)29(25)13-12-16(2)3/h6-11,14,16H,4-5,12-13,15H2,1-3H3,(H,27,31)