N-[2-(cyclopropylcarbonylamino)-1,3-benzothiazol-6-yl]-3-(naphthalen-2-ylmethylamino)cyclohexane-1-carboxamide

Systemtic Name: N-[2-(cyclopropylcarbonylamino)-1,3-benzothiazol-6-yl]-3-(naphthalen-2-ylmethylamino)cyclohexane-1-carboxamide Openeye Name: N-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-3-(2-naphthylmethylamino)cyclohexanecarboxamide CAS Name: N-[2-[[cyclopropyl(oxo)methyl]amino]-1,3-benzothiazol-6-yl]-3-(2-naphthalenylmethylamino)-1-cyclohexanecarboxamide IUPAC Name: N-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-3-(naphthalen-2-ylmethylamino)cyclohexane-1-carboxamide Traditional Name: N-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-3-(2-naphthylmethylamino)cyclohexanecarboxamide Formula: C29H30N4O2S MolecularWeight: 498.6391

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)NCC2=CC3=CC=CC=C3C=C2)C(=O)NC4=CC5=C(C=C4)N=C(S5)NC(=O)C6CC6

Isomeric SMILES

C1CC(CC(C1)NCC2=CC3=CC=CC=C3C=C2)C(=O)NC4=CC5=C(C=C4)N=C(S5)NC(=O)C6CC6

InChI

InChI=1S/C29H30N4O2S/c34-27(20-10-11-20)33-29-32-25-13-12-24(16-26(25)36-29)31-28(35)22-6-3-7-23(15-22)30-17-18-8-9-19-4-1-2-5-21(19)14-18/h1-2,4-5,8-9,12-14,16,20,22-23,30H,3,6-7,10-11,15,17H2,(H,31,35)(H,32,33,34)