N-[4-[[(4-heptoxyphenyl)carbonylcarbamothioylamino]carbamoyl]phenyl]-3-methyl-benzamide

Systemtic Name: N-[4-[[(4-heptoxyphenyl)carbonylcarbamothioylamino]carbamoyl]phenyl]-3-methyl-benzamide Openeye Name: N-[4-[[(4-heptoxybenzoyl)carbamothioylamino]carbamoyl]phenyl]-3-methyl-benzamide CAS Name: N-[4-[[[[[(4-heptoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]-3-methylbenzamide IUPAC Name: N-[4-[[(4-heptoxybenzoyl)carbamothioylamino]carbamoyl]phenyl]-3-methylbenzamide Traditional Name: N-[4-[[(4-heptoxybenzoyl)thiocarbamoylamino]carbamoyl]phenyl]-3-methyl-benzamide Formula: C30H34N4O4S MolecularWeight: 546.68036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C30H34N4O4S/c1-3-4-5-6-7-19-38-26-17-13-22(14-18-26)27(35)32-30(39)34-33-29(37)23-11-15-25(16-12-23)31-28(36)24-10-8-9-21(2)20-24/h8-18,20H,3-7,19H2,1-2H3,(H,31,36)(H,33,37)(H2,32,34,35,39)