1-[2-[bis[2-(naphthalen-1-ylcarbamothioylamino)ethyl]amino]ethyl]-3-naphthalen-1-yl-thiourea

Systemtic Name: 1-[2-[bis[2-(naphthalen-1-ylcarbamothioylamino)ethyl]amino]ethyl]-3-naphthalen-1-yl-thiourea Openeye Name: 1-[2-[bis[2-(1-naphthylcarbamothioylamino)ethyl]amino]ethyl]-3-(1-naphthyl)thiourea CAS Name: 1-[2-[bis[2-[[(1-naphthalenylamino)-sulfanylidenemethyl]amino]ethyl]amino]ethyl]-3-(1-naphthalenyl)thiourea IUPAC Name: 1-[2-[bis[2-(naphthalen-1-ylcarbamothioylamino)ethyl]amino]ethyl]-3-naphthalen-1-ylthiourea Traditional Name: 1-[2-[bis[2-(1-naphthylthiocarbamoylamino)ethyl]amino]ethyl]-3-(1-naphthyl)thiourea Formula: C39H39N7S3 MolecularWeight: 701.96886

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2NC(=S)NCCN(CCNC(=S)NC3=CC=CC4=CC=CC=C43)CCNC(=S)NC5=CC=CC6=CC=CC=C65

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2NC(=S)NCCN(CCNC(=S)NC3=CC=CC4=CC=CC=C43)CCNC(=S)NC5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C39H39N7S3/c47-37(43-34-19-7-13-28-10-1-4-16-31(28)34)40-22-25-46(26-23-41-38(48)44-35-20-8-14-29-11-2-5-17-32(29)35)27-24-42-39(49)45-36-21-9-15-30-12-3-6-18-33(30)36/h1-21H,22-27H2,(H2,40,43,47)(H2,41,44,48)(H2,42,45,49)