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

Systemtic Name: N-[1-[4-(aminomethyl)phenyl]-2-(1,3-benzothiazol-2-yl)-2-oxidanylidene-ethyl]cyclohexanecarboxamide Openeye Name: N-[1-[4-(aminomethyl)phenyl]-2-(1,3-benzothiazol-2-yl)-2-oxo-ethyl]cyclohexanecarboxamide CAS Name: N-[1-[4-(aminomethyl)phenyl]-2-(1,3-benzothiazol-2-yl)-2-oxoethyl]cyclohexanecarboxamide IUPAC Name: N-[1-[4-(aminomethyl)phenyl]-2-(1,3-benzothiazol-2-yl)-2-oxoethyl]cyclohexanecarboxamide Traditional Name: N-[1-[4-(aminomethyl)phenyl]-2-(1,3-benzothiazol-2-yl)-2-keto-ethyl]cyclohexanecarboxamide Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O2S/c24-14-15-10-12-16(13-11-15)20(26-22(28)17-6-2-1-3-7-17)21(27)23-25-18-8-4-5-9-19(18)29-23/h4-5,8-13,17,20H,1-3,6-7,14,24H2,(H,26,28)