N-(phenylmethyl)-3-[(4-propan-2-yloxyphenyl)carbonylcarbamothioylamino]benzamide

Systemtic Name: N-(phenylmethyl)-3-[(4-propan-2-yloxyphenyl)carbonylcarbamothioylamino]benzamide Openeye Name: N-benzyl-3-[(4-isopropoxybenzoyl)carbamothioylamino]benzamide CAS Name: 3-[[[[oxo-(4-propan-2-yloxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-3-[(4-propan-2-yloxybenzoyl)carbamothioylamino]benzamide Traditional Name: N-benzyl-3-[(4-isopropoxybenzoyl)thiocarbamoylamino]benzamide Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C25H25N3O3S/c1-17(2)31-22-13-11-19(12-14-22)24(30)28-25(32)27-21-10-6-9-20(15-21)23(29)26-16-18-7-4-3-5-8-18/h3-15,17H,16H2,1-2H3,(H,26,29)(H2,27,28,30,32)