1-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-3-methyl-thiourea

Systemtic Name: 1-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-3-methyl-thiourea Openeye Name: 1-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-3-methyl-thiourea CAS Name: 1-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-3-methylthiourea IUPAC Name: 1-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-3-methylthiourea Traditional Name: 1-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-3-methyl-thiourea Formula: C16H19N3S3 MolecularWeight: 349.53716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=S)NC

Isomeric SMILES

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=S)NC

InChI

InChI=1S/C16H19N3S3/c1-3-4-5-6-7-10-21-16-19-13-9-8-12(11-14(13)22-16)18-15(20)17-2/h8-9,11H,3-4,7,10H2,1-2H3,(H2,17,18,20)