N-[1-[4-(aminomethyl)phenyl]-2-(1,3-benzothiazol-2-yl)-2-oxidanylidene-ethyl]-2-cyclohexyl-ethanamide

Systemtic Name: N-[1-[4-(aminomethyl)phenyl]-2-(1,3-benzothiazol-2-yl)-2-oxidanylidene-ethyl]-2-cyclohexyl-ethanamide Openeye Name: N-[1-[4-(aminomethyl)phenyl]-2-(1,3-benzothiazol-2-yl)-2-oxo-ethyl]-2-cyclohexyl-acetamide CAS Name: N-[1-[4-(aminomethyl)phenyl]-2-(1,3-benzothiazol-2-yl)-2-oxoethyl]-2-cyclohexylacetamide IUPAC Name: N-[1-[4-(aminomethyl)phenyl]-2-(1,3-benzothiazol-2-yl)-2-oxoethyl]-2-cyclohexylacetamide Traditional Name: N-[1-[4-(aminomethyl)phenyl]-2-(1,3-benzothiazol-2-yl)-2-keto-ethyl]-2-cyclohexyl-acetamide Formula: C24H27N3O2S MolecularWeight: 421.55508

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(=O)NC(C2=CC=C(C=C2)CN)C(=O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCC(CC1)CC(=O)NC(C2=CC=C(C=C2)CN)C(=O)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H27N3O2S/c25-15-17-10-12-18(13-11-17)22(27-21(28)14-16-6-2-1-3-7-16)23(29)24-26-19-8-4-5-9-20(19)30-24/h4-5,8-13,16,22H,1-3,6-7,14-15,25H2,(H,27,28)