4-(aminocarbonylamino)-N-[4-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-1,3-thiazol-2-yl]benzamide

Systemtic Name: 4-(aminocarbonylamino)-N-[4-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-1,3-thiazol-2-yl]benzamide Openeye Name: N-[4-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)thiazol-2-yl]-4-ureido-benzamide CAS Name: 4-(carbamoylamino)-N-[4-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-thiazolyl]benzamide IUPAC Name: 4-(carbamoylamino)-N-[4-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-1,3-thiazol-2-yl]benzamide Traditional Name: N-[4-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)thiazol-2-yl]-4-ureido-benzamide Formula: C25H25N5O2S MolecularWeight: 459.5633

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C3=CSC(=N3)NC(=O)C4=CC=C(C=C4)NC(=O)N

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C3=CSC(=N3)NC(=O)C4=CC=C(C=C4)NC(=O)N

InChI

InChI=1S/C25H25N5O2S/c1-16-14-21(17(2)30(16)13-12-18-6-4-3-5-7-18)22-15-33-25(28-22)29-23(31)19-8-10-20(11-9-19)27-24(26)32/h3-11,14-15H,12-13H2,1-2H3,(H3,26,27,32)(H,28,29,31)