2-[(3-propoxyphenyl)carbonylcarbamothioylamino]-N-propyl-benzamide

Systemtic Name: 2-[(3-propoxyphenyl)carbonylcarbamothioylamino]-N-propyl-benzamide Openeye Name: 2-[(3-propoxybenzoyl)carbamothioylamino]-N-propyl-benzamide CAS Name: 2-[[[[oxo-(3-propoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]-N-propylbenzamide IUPAC Name: 2-[(3-propoxybenzoyl)carbamothioylamino]-N-propylbenzamide Traditional Name: 2-[(3-propoxybenzoyl)thiocarbamoylamino]-N-propyl-benzamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC(=CC=C2)OCCC

Isomeric SMILES

CCCNC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC(=CC=C2)OCCC

InChI

InChI=1S/C21H25N3O3S/c1-3-12-22-20(26)17-10-5-6-11-18(17)23-21(28)24-19(25)15-8-7-9-16(14-15)27-13-4-2/h5-11,14H,3-4,12-13H2,1-2H3,(H,22,26)(H2,23,24,25,28)