N-[[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioyl]-4-propan-2-yl-benzamide

Systemtic Name: N-[[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: N-[[4-[2-(dimethylamino)-2-oxo-ethyl]phenyl]carbamothioyl]-4-isopropyl-benzamide CAS Name: N-[[4-[2-(dimethylamino)-2-oxoethyl]anilino]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: N-[[4-[2-(dimethylamino)-2-keto-ethyl]phenyl]thiocarbamoyl]-4-isopropyl-benzamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S/c1-14(2)16-7-9-17(10-8-16)20(26)23-21(27)22-18-11-5-15(6-12-18)13-19(25)24(3)4/h5-12,14H,13H2,1-4H3,(H2,22,23,26,27)