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

Systemtic Name: 1-[[4-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]carbonylphenyl]methyl]urea Openeye Name: [4-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]phenyl]methylurea CAS Name: [4-[[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-oxomethyl]phenyl]methylurea IUPAC Name: [4-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]phenyl]methylurea Traditional Name: [4-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]benzyl]urea Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O2S/c21-20(26)22-12-13-7-9-14(10-8-13)19(25)24-11-3-5-16(24)18-23-15-4-1-2-6-17(15)27-18/h1-2,4,6-10,16H,3,5,11-12H2,(H3,21,22,26)/t16-/m0/s1