4-[(4-butan-2-ylphenyl)carbamothioylamino]benzamide

Systemtic Name: 4-[(4-butan-2-ylphenyl)carbamothioylamino]benzamide Openeye Name: 4-[(4-sec-butylphenyl)carbamothioylamino]benzamide CAS Name: 4-[[(4-butan-2-ylanilino)-sulfanylidenemethyl]amino]benzamide IUPAC Name: 4-[(4-butan-2-ylphenyl)carbamothioylamino]benzamide Traditional Name: 4-[(4-sec-butylphenyl)thiocarbamoylamino]benzamide Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3OS/c1-3-12(2)13-4-8-15(9-5-13)20-18(23)21-16-10-6-14(7-11-16)17(19)22/h4-12H,3H2,1-2H3,(H2,19,22)(H2,20,21,23)