2-[2-(tert-butylamino)ethyl-[2-(phenylcarbamoylamino)ethyl]amino]ethylcarbamodithioic acid

Systemtic Name: 2-[2-(tert-butylamino)ethyl-[2-(phenylcarbamoylamino)ethyl]amino]ethylcarbamodithioic acid Openeye Name: 2-[2-(tert-butylamino)ethyl-[2-(phenylcarbamoylamino)ethyl]amino]ethylcarbamodithioic acid CAS Name: 2-[2-[[anilino(oxo)methyl]amino]ethyl-[2-(tert-butylamino)ethyl]amino]ethylcarbamodithioic acid IUPAC Name: 2-[2-(tert-butylamino)ethyl-[2-(phenylcarbamoylamino)ethyl]amino]ethylcarbamodithioic acid Traditional Name: 2-[2-(tert-butylamino)ethyl-[2-(phenylcarbamoylamino)ethyl]amino]ethylcarbamodithioic acid Formula: C18H31N5OS2 MolecularWeight: 397.60164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCCN(CCNC(=O)NC1=CC=CC=C1)CCNC(=S)S

Isomeric SMILES

CC(C)(C)NCCN(CCNC(=O)NC1=CC=CC=C1)CCNC(=S)S

InChI

InChI=1S/C18H31N5OS2/c1-18(2,3)21-11-14-23(13-10-20-17(25)26)12-9-19-16(24)22-15-7-5-4-6-8-15/h4-8,21H,9-14H2,1-3H3,(H2,19,22,24)(H2,20,25,26)