N-[4-[(3-butoxyphenyl)carbonylcarbamothioylamino]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[(3-butoxyphenyl)carbonylcarbamothioylamino]phenyl]thiophene-2-carboxamide Openeye Name: N-[4-[(3-butoxybenzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide CAS Name: N-[4-[[[[(3-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[(3-butoxybenzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide Traditional Name: N-[4-[(3-butoxybenzoyl)thiocarbamoylamino]phenyl]thiophene-2-carboxamide Formula: C23H23N3O3S2 MolecularWeight: 453.57702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C23H23N3O3S2/c1-2-3-13-29-19-7-4-6-16(15-19)21(27)26-23(30)25-18-11-9-17(10-12-18)24-22(28)20-8-5-14-31-20/h4-12,14-15H,2-3,13H2,1H3,(H,24,28)(H2,25,26,27,30)