N-butan-2-yl-2-[(4-propoxyphenyl)carbonylcarbamothioylamino]benzamide

Systemtic Name: N-butan-2-yl-2-[(4-propoxyphenyl)carbonylcarbamothioylamino]benzamide Openeye Name: 2-[(4-propoxybenzoyl)carbamothioylamino]-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-2-[[[[oxo-(4-propoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-butan-2-yl-2-[(4-propoxybenzoyl)carbamothioylamino]benzamide Traditional Name: 2-[(4-propoxybenzoyl)thiocarbamoylamino]-N-sec-butyl-benzamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC(C)CC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC(C)CC

InChI

InChI=1S/C22H27N3O3S/c1-4-14-28-17-12-10-16(11-13-17)20(26)25-22(29)24-19-9-7-6-8-18(19)21(27)23-15(3)5-2/h6-13,15H,4-5,14H2,1-3H3,(H,23,27)(H2,24,25,26,29)