3-[(4-tert-butylphenyl)carbonylamino]-N-(3-carbamimidoylphenyl)thiophene-2-carboxamide hydrochloride

Systemtic Name: 3-[(4-tert-butylphenyl)carbonylamino]-N-(3-carbamimidoylphenyl)thiophene-2-carboxamide hydrochloride Openeye Name: 3-[(4-tert-butylbenzoyl)amino]-N-(3-carbamimidoylphenyl)thiophene-2-carboxamide hydrochloride CAS Name: 3-[[(4-tert-butylphenyl)-oxomethyl]amino]-N-(3-carbamimidoylphenyl)-2-thiophenecarboxamide hydrochloride IUPAC Name: 3-[(4-tert-butylbenzoyl)amino]-N-(3-carbamimidoylphenyl)thiophene-2-carboxamide hydrochloride Traditional Name: N-(3-amidinophenyl)-3-[(4-tert-butylbenzoyl)amino]thiophene-2-carboxamide hydrochloride Formula: C23H25ClN4O2S MolecularWeight: 456.9882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(SC=C2)C(=O)NC3=CC=CC(=C3)C(=N)N.Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(SC=C2)C(=O)NC3=CC=CC(=C3)C(=N)N.Cl

InChI

InChI=1S/C23H24N4O2S.ClH/c1-23(2,3)16-9-7-14(8-10-16)21(28)27-18-11-12-30-19(18)22(29)26-17-6-4-5-15(13-17)20(24)25;/h4-13H,1-3H3,(H3,24,25)(H,26,29)(H,27,28);1H