2-(3-phenylpropylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide

Systemtic Name: 2-(3-phenylpropylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide Openeye Name: 2-(3-phenylpropylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide CAS Name: 2-[[oxo-(3-phenylpropylamino)methyl]amino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-(3-phenylpropylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide Traditional Name: N-mesityl-2-(3-phenylpropylcarbamoylamino)-1,3-benzothiazole-6-carboxamide Formula: C27H28N4O2S MolecularWeight: 472.60182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)NCCCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)NCCCC4=CC=CC=C4)C

InChI

InChI=1S/C27H28N4O2S/c1-17-14-18(2)24(19(3)15-17)30-25(32)21-11-12-22-23(16-21)34-27(29-22)31-26(33)28-13-7-10-20-8-5-4-6-9-20/h4-6,8-9,11-12,14-16H,7,10,13H2,1-3H3,(H,30,32)(H2,28,29,31,33)