1-[[4-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonylphenyl]methyl]urea

Systemtic Name: 1-[[4-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonylphenyl]methyl]urea Openeye Name: [4-[(3S)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenyl]methylurea CAS Name: [4-[[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]phenyl]methylurea IUPAC Name: [4-[(3S)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenyl]methylurea Traditional Name: [4-[(3S)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]benzyl]urea Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)CNC(=O)N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC=C(C=C2)CNC(=O)N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N4O2S/c22-21(27)23-12-14-7-9-15(10-8-14)20(26)25-11-3-4-16(13-25)19-24-17-5-1-2-6-18(17)28-19/h1-2,5-10,16H,3-4,11-13H2,(H3,22,23,27)/t16-/m0/s1