4-azanyl-N-[2-(butan-2-ylamino)-6,6-bis(methylsulfanyl)cycloheptyl]-N-methyl-benzenecarbothioamide

Systemtic Name: 4-azanyl-N-[2-(butan-2-ylamino)-6,6-bis(methylsulfanyl)cycloheptyl]-N-methyl-benzenecarbothioamide Openeye Name: 4-amino-N-[6,6-bis(methylsulfanyl)-2-(sec-butylamino)cycloheptyl]-N-methyl-benzenecarbothioamide CAS Name: 4-amino-N-[2-(butan-2-ylamino)-6,6-bis(methylthio)cycloheptyl]-N-methylbenzenecarbothioamide IUPAC Name: 4-amino-N-[2-(butan-2-ylamino)-6,6-bis(methylsulfanyl)cycloheptyl]-N-methylbenzenecarbothioamide Traditional Name: 4-amino-N-[6,6-bis(methylthio)-2-(sec-butylamino)cycloheptyl]-N-methyl-thiobenzamide Formula: C21H35N3S3 MolecularWeight: 425.7177

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1CCCC(CC1N(C)C(=S)C2=CC=C(C=C2)N)(SC)SC

Isomeric SMILES

CCC(C)NC1CCCC(CC1N(C)C(=S)C2=CC=C(C=C2)N)(SC)SC

InChI

InChI=1S/C21H35N3S3/c1-6-15(2)23-18-8-7-13-21(26-4,27-5)14-19(18)24(3)20(25)16-9-11-17(22)12-10-16/h9-12,15,18-19,23H,6-8,13-14,22H2,1-5H3