3-(aminocarbonylamino)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-phenyl-propanamide

Systemtic Name: 3-(aminocarbonylamino)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-phenyl-propanamide Openeye Name: N-(2-morpholino-1,3-benzothiazol-6-yl)-3-phenyl-3-ureido-propanamide CAS Name: 3-(carbamoylamino)-N-[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]-3-phenylpropanamide IUPAC Name: 3-(carbamoylamino)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-phenylpropanamide Traditional Name: N-(2-morpholino-1,3-benzothiazol-6-yl)-3-phenyl-3-ureido-propionamide Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC3=C(S2)C=C(C=C3)NC(=O)CC(C4=CC=CC=C4)NC(=O)N

Isomeric SMILES

C1COCCN1C2=NC3=C(S2)C=C(C=C3)NC(=O)CC(C4=CC=CC=C4)NC(=O)N

InChI

InChI=1S/C21H23N5O3S/c22-20(28)24-17(14-4-2-1-3-5-14)13-19(27)23-15-6-7-16-18(12-15)30-21(25-16)26-8-10-29-11-9-26/h1-7,12,17H,8-11,13H2,(H,23,27)(H3,22,24,28)