4-(hexanoylcarbamothioylamino)-N-methyl-N-phenyl-benzamide

Systemtic Name: 4-(hexanoylcarbamothioylamino)-N-methyl-N-phenyl-benzamide Openeye Name: 4-(hexanoylcarbamothioylamino)-N-methyl-N-phenyl-benzamide CAS Name: N-methyl-4-[[(1-oxohexylamino)-sulfanylidenemethyl]amino]-N-phenylbenzamide IUPAC Name: 4-(hexanoylcarbamothioylamino)-N-methyl-N-phenylbenzamide Traditional Name: 4-(caproylthiocarbamoylamino)-N-methyl-N-phenyl-benzamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)N(C)C2=CC=CC=C2

Isomeric SMILES

CCCCCC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)N(C)C2=CC=CC=C2

InChI

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