4-azanyl-N-[2-(butan-2-ylamino)-3,3-bis(methylsulfanyl)cycloheptyl]-N-methyl-benzenecarbothioamide

Systemtic Name: 4-azanyl-N-[2-(butan-2-ylamino)-3,3-bis(methylsulfanyl)cycloheptyl]-N-methyl-benzenecarbothioamide Openeye Name: 4-amino-N-[3,3-bis(methylsulfanyl)-2-(sec-butylamino)cycloheptyl]-N-methyl-benzenecarbothioamide CAS Name: 4-amino-N-[2-(butan-2-ylamino)-3,3-bis(methylthio)cycloheptyl]-N-methylbenzenecarbothioamide IUPAC Name: 4-amino-N-[2-(butan-2-ylamino)-3,3-bis(methylsulfanyl)cycloheptyl]-N-methylbenzenecarbothioamide Traditional Name: 4-amino-N-[3,3-bis(methylthio)-2-(sec-butylamino)cycloheptyl]-N-methyl-thiobenzamide Formula: C21H35N3S3 MolecularWeight: 425.7177

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1C(CCCCC1(SC)SC)N(C)C(=S)C2=CC=C(C=C2)N

Isomeric SMILES

CCC(C)NC1C(CCCCC1(SC)SC)N(C)C(=S)C2=CC=C(C=C2)N

InChI

InChI=1S/C21H35N3S3/c1-6-15(2)23-19-18(9-7-8-14-21(19,26-4)27-5)24(3)20(25)16-10-12-17(22)13-11-16/h10-13,15,18-19,23H,6-9,14,22H2,1-5H3