3-nitro-N-[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]-4-pyrrolidin-1-yl-benzamide

Systemtic Name: 3-nitro-N-[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[[4-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: 3-nitro-N-[[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]methylamino]-sulfanylidenemethyl]-4-(1-pyrrolidinyl)benzamide IUPAC Name: 3-nitro-N-[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[[4-(5-isopropyl-1,3-benzoxazol-2-yl)benzyl]thiocarbamoyl]-3-nitro-4-pyrrolidino-benzamide Formula: C29H29N5O4S MolecularWeight: 543.63666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)CNC(=S)NC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)CNC(=S)NC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-]

InChI

InChI=1S/C29H29N5O4S/c1-18(2)21-10-12-26-23(15-21)31-28(38-26)20-7-5-19(6-8-20)17-30-29(39)32-27(35)22-9-11-24(25(16-22)34(36)37)33-13-3-4-14-33/h5-12,15-16,18H,3-4,13-14,17H2,1-2H3,(H2,30,32,35,39)