ethyl N-[[5-[[4-(phenylcarbamothioylamino)phenyl]carbonylamino]thiophen-2-yl]amino]carbamate

Systemtic Name: ethyl N-[[5-[[4-(phenylcarbamothioylamino)phenyl]carbonylamino]thiophen-2-yl]amino]carbamate Openeye Name: ethyl N-[[5-[[4-(phenylcarbamothioylamino)benzoyl]amino]-2-thienyl]amino]carbamate CAS Name: N-[[5-[[[4-[[anilino(sulfanylidene)methyl]amino]phenyl]-oxomethyl]amino]-2-thiophenyl]amino]carbamic acid ethyl ester IUPAC Name: ethyl N-[[5-[[4-(phenylcarbamothioylamino)benzoyl]amino]thiophen-2-yl]amino]carbamate Traditional Name: N-[[5-[[4-(phenylthiocarbamoylamino)benzoyl]amino]-2-thienyl]amino]carbamic acid ethyl ester Formula: C21H21N5O3S2 MolecularWeight: 455.55314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NNC1=CC=C(S1)NC(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)NNC1=CC=C(S1)NC(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C21H21N5O3S2/c1-2-29-21(28)26-25-18-13-12-17(31-18)24-19(27)14-8-10-16(11-9-14)23-20(30)22-15-6-4-3-5-7-15/h3-13,25H,2H2,1H3,(H,24,27)(H,26,28)(H2,22,23,30)