N-[4-[(6-acetamido-1,3-benzothiazol-2-yl)carbamoyl]phenyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[(6-acetamido-1,3-benzothiazol-2-yl)carbamoyl]phenyl]adamantane-1-carboxamide Openeye Name: N-[4-[(6-acetamido-1,3-benzothiazol-2-yl)carbamoyl]phenyl]adamantane-1-carboxamide CAS Name: N-[4-[[(6-acetamido-1,3-benzothiazol-2-yl)amino]-oxomethyl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[(6-acetamido-1,3-benzothiazol-2-yl)carbamoyl]phenyl]adamantane-1-carboxamide Traditional Name: N-[4-[(6-acetamido-1,3-benzothiazol-2-yl)carbamoyl]phenyl]adamantane-1-carboxamide Formula: C27H28N4O3S MolecularWeight: 488.60122

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H28N4O3S/c1-15(32)28-21-6-7-22-23(11-21)35-26(30-22)31-24(33)19-2-4-20(5-3-19)29-25(34)27-12-16-8-17(13-27)10-18(9-16)14-27/h2-7,11,16-18H,8-10,12-14H2,1H3,(H,28,32)(H,29,34)(H,30,31,33)