3-[(4-butylphenyl)carbamothioylamino]-N-(phenylmethyl)benzamide

Systemtic Name: 3-[(4-butylphenyl)carbamothioylamino]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-3-[(4-butylphenyl)carbamothioylamino]benzamide CAS Name: 3-[[(4-butylanilino)-sulfanylidenemethyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-3-[(4-butylphenyl)carbamothioylamino]benzamide Traditional Name: N-benzyl-3-[(4-butylphenyl)thiocarbamoylamino]benzamide Formula: C25H27N3OS MolecularWeight: 417.56638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C25H27N3OS/c1-2-3-8-19-13-15-22(16-14-19)27-25(30)28-23-12-7-11-21(17-23)24(29)26-18-20-9-5-4-6-10-20/h4-7,9-17H,2-3,8,18H2,1H3,(H,26,29)(H2,27,28,30)