N-[[3-[3-(dimethylamino)-3-oxidanylidene-propyl]phenyl]carbamothioyl]-4-(3-methylbutoxy)benzamide

Systemtic Name: N-[[3-[3-(dimethylamino)-3-oxidanylidene-propyl]phenyl]carbamothioyl]-4-(3-methylbutoxy)benzamide Openeye Name: N-[[3-[3-(dimethylamino)-3-oxo-propyl]phenyl]carbamothioyl]-4-isopentyloxy-benzamide CAS Name: N-[[3-[3-(dimethylamino)-3-oxopropyl]anilino]-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: N-[[3-[3-(dimethylamino)-3-oxopropyl]phenyl]carbamothioyl]-4-(3-methylbutoxy)benzamide Traditional Name: N-[[3-[3-(dimethylamino)-3-keto-propyl]phenyl]thiocarbamoyl]-4-isoamoxy-benzamide Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)CCC(=O)N(C)C

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)CCC(=O)N(C)C

InChI

InChI=1S/C24H31N3O3S/c1-17(2)14-15-30-21-11-9-19(10-12-21)23(29)26-24(31)25-20-7-5-6-18(16-20)8-13-22(28)27(3)4/h5-7,9-12,16-17H,8,13-15H2,1-4H3,(H2,25,26,29,31)