3-[(4-methylphenyl)carbonylcarbamothioylamino]-N-(oxolan-2-ylmethyl)benzamide

Systemtic Name: 3-[(4-methylphenyl)carbonylcarbamothioylamino]-N-(oxolan-2-ylmethyl)benzamide Openeye Name: 3-[(4-methylbenzoyl)carbamothioylamino]-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: 3-[[[[(4-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-(2-oxolanylmethyl)benzamide IUPAC Name: 3-[(4-methylbenzoyl)carbamothioylamino]-N-(oxolan-2-ylmethyl)benzamide Traditional Name: 3-(p-toluoylthiocarbamoylamino)-N-(tetrahydrofurfuryl)benzamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NCC3CCCO3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NCC3CCCO3

InChI

InChI=1S/C21H23N3O3S/c1-14-7-9-15(10-8-14)20(26)24-21(28)23-17-5-2-4-16(12-17)19(25)22-13-18-6-3-11-27-18/h2,4-5,7-10,12,18H,3,6,11,13H2,1H3,(H,22,25)(H2,23,24,26,28)